SCHEMBL1877421

SCHEMBL1877421

NC(=O)C1Cc2c([nH]c3ccccc23)CN1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
CYP2D6 P10635 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
HSD17B10 Q99714 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 2/20 0.69
HPGD P15428 2/20 0.69
GAA P10253 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 2/20 0.63
TRPM8 Q7Z2W7 1/20 0.58
SIRT1 Q96EB6 2/20 0.49
NR2E1 Q9Y466 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10639172 1.00 KDM4E (0.69) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL29535380 0.87 KDM4E (0.71) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL416557 0.87 KDM4E (0.71) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL416558 0.87 KDM4E (0.71) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL7889282 0.87 KDM4E (0.71) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL13840607 0.85 KDM4E (0.73) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL28419799 0.85 KDM4E (0.69) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3110230 0.85 KDM4E (0.73) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL10642614 0.85 KDM4E (0.69) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL27798629 0.85 KDM4E (0.73) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142322-A1 2-Alkyl/aryl sulphonyl-1,2,3,4-tetrahydro-9H-pyrido (3,4-b) indole-3-carboxylic acid esters/amides useful as antithrombotic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-06-29 US claimed
EP-1438310-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TransTech Pharma Inc. (US) 2004-07-21 EP claimed
WO-2003033496-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO claimed
US-12630512-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2026-05-19 US disclosed
EP-3600451-B1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2025-12-24 EP disclosed
US-12202799-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2025-01-21 US disclosed
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2024-12-12 US disclosed
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2022-08-04 US disclosed
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MINERVA BIOTECHNOLOGIES CORPORATION 2021-09-30 US disclosed
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2021-03-25 US disclosed
CN-110799652-A Differentiated stem cells and agents for treating cancer 米纳瓦生物技术公司 2020-02-14 CN disclosed
EP-1438310-B1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA INC (US) 2006-12-20 EP disclosed
US-20060142322-A1 2-Alkyl/aryl sulphonyl-1,2,3,4-tetrahydro-9H-pyrido (3,4-b) indole-3-carboxylic acid esters/amides useful as antithrombotic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-06-29 US disclosed
US-20050256181-A1 Treating a viral disorder ELIXIR PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20050209300-A1 Methods of treating a disorder IPSOL AG (LI) 2005-09-22 US disclosed
US-6608193-B2 Forming an intermediate by reacting the support-bound amino-substituted-tetrahydroisoquinoline compound with a reagent; and cyclizatively cleaving support-bound amino-substituted-tetrahydroisoquinoline compound THE PROCTER & GAMBLE COMPANY 2003-08-19 US disclosed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 US disclosed
EP-0145304-B1 TETRAHYDRO-BETA-CARBOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Tanabe Seiyaku Co., Ltd. (JP) 1988-04-20 EP disclosed
US-4628057-A Tetrahydro-β-carboline derivatives and treatment of liver diseases TANABE SEIYAKU CO., LTD. (JP) 1986-12-09 US disclosed
EP-0145304-A1 Tetrahydro-beta-carboline derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-06-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060142322-A1 2-Alkyl/aryl sulphonyl-1,2,3,4-tetrahydro-9H-pyrido (3,4-b) indole-3-carboxylic acid esters/amides useful as antithrombotic agents HTR3B, TH, IDO1 KDM4E 358/4885CYP2D6 144/4885CYP1A2 172/4885
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MCL1, CD44, EPCAM KDM4E 970/4885CYP2D6 4379/4885CYP1A2 4081/4885
US-12202799-B2 Agents for differentiating stem cells and treating cancer MCL1, CD44, CRABP2 KDM4E 2543/4885CYP2D6 4801/4885CYP1A2 4669/4885
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 KDM4E 2543/4885CYP2D6 4801/4885CYP1A2 4669/4885
US-12630512-B2 Agents for differentiating stem cells and treating cancer MCL1, POU2F1, NES KDM4E 1753/4885CYP2D6 3225/4885CYP1A2 2832/4885
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO KDM4E 493/4885CYP2D6 434/4885CYP1A2 373/4885
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 KDM4E 2543/4885CYP2D6 4801/4885CYP1A2 4669/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 KDM4E 3776/4885CYP2D6 2444/4885CYP1A2 1551/4885
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 KDM4E 2543/4885CYP2D6 4801/4885CYP1A2 4669/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 KDM4E 3271/4885CYP2D6 615/4885CYP1A2 405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.