SCHEMBL678673

SCHEMBL678673

C1=NCCc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTR2A P28223 2/20 0.50
HTR5A P47898 2/20 0.50
NISCH Q9Y2I1 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
HSD17B10 Q99714 2/20 0.41
NR2E1 Q9Y466 1/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28172745 0.77 KDM4E (0.48) HTR2CKDM4EMEN1KMT2AMAPT
SCHEMBL31292996 0.77 HTR2C (0.46) HTR2CKDM4EMEN1KMT2AHTR2A
SCHEMBL27210132 0.77 HTR2C (0.46) HTR2CHTR2AMAPK10RIPK1
SCHEMBL30477973 0.77 KDM4E (0.48) HTR2CKDM4EMEN1KMT2AMAPT
SCHEMBL28357294 0.77 HTR2C (0.46) HTR2CKDM4EMEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL31293257 0.76 HTR2C (0.45) HTR2CKDM4EMEN1KMT2AHTR2A
SCHEMBL28357290 0.73 TAAR1 (0.46) HTR2CKDM4ETAAR1
SCHEMBL28357132 0.73 HTR2C (0.63) HTR2CHTR2A
Cgs-19281A SCHEMBL2930783 0.73 KDM4E (0.58) HTR2CKDM4EMEN1KMT2AHTR2A
SCHEMBL30921653 0.73 KDM4E (0.58) HTR2CKDM4EMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332930-A Evodiamine derivative targeting insect ryanodine receptor as well as preparation and application thereof 天津农学院 2023-06-27 CN claimed
CN-112390798-A Production process of evodiamine and method for recycling solvent used in production 张家港威胜生物医药有限公司 2021-02-23 CN claimed
CN-108969770-A 1- methyl -3- methylol-tetrahydro-beta-carboline of dipeptides modification, synthesis and application 首都医科大学 2018-12-11 CN claimed
CN-107686482-A New heptacyclic compound, it is synthesized, activity rating and application 首都医科大学 2018-02-13 CN claimed
CN-103159827-B (1R, 3S)-1-p-nitrophenyl-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and application Capital Medical University (CN) 2016-03-30 CN claimed
CN-103159758-B (1S, 3S)-1-p-nitrophenyl-1,2,3,4-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and the application as antithrombotic agent Capital Medical University (CN) 2015-08-05 CN claimed
CN-103159758-A (1S,3S)-1-p-nitrophenyl-1,2,3,4-tetrahydro-beta-carboline acyl amino acid, and synthesis, antithrombotic activity and application as antithrombotic agent thereof UNIV CAPITAL MEDICAL 2013-06-19 CN claimed
CN-103159827-A Synthesis, anti-thrombotic activity, and application of (1R, 3S) -1-p-nitrophenyl-1,2,3,4-tetrahydro-beta-carboline acyl amino acid UNIV CAPITAL MEDICAL 2013-06-19 CN claimed
US-20060292202-A1 Drug delivery device BAUSCH & LOMB INCORPORATED 2006-12-28 US claimed
EP-0923581-B1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMA (US) 2003-05-21 EP claimed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 US claimed
EP-0923581-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-06-23 EP claimed
WO-1998006719-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-02-19 WO claimed
CN-119661519-A Preparation method and application of novel carboline quaternary ammonium salt compound with photodynamic antibacterial effect 常州市妇幼保健院 2025-03-21 CN disclosed
CN-119285651-A Oxaevodiamine compound and pharmaceutical application thereof 中国医学科学院药物研究所 2025-01-10 CN disclosed
CN-119080622-A (2-Nitromethyl) arylformate compound and application thereof 中国药科大学 2024-12-06 CN disclosed
US-4705857-A Indole derivatives, process for producing them and their use as intermediates SCHERING AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4472399-A Indolo[2',3';3,4]pyrido[2,1-b]quinazoline-5-ones, a process for the preparation thereof, and diuretic compositions and methods using them CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-09-18 US disclosed
EP-0110813-A2 Process for producing beta-carboline derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-13 EP disclosed
US-4367230-A ANTIANOXIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1983-01-04 US 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 (1 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-20060292202-A1 Drug delivery device ALDH1A2, ADRB2, ADRA2B HTR2C 449/4885KDM4E 3594/4885MEN1 2313/4885

“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.