SCHEMBL701395

SCHEMBL701395

NCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.71
CYP3A4 P08684 3/20 0.71
HTR6 P50406 3/20 0.71
CYP2D6 P10635 3/20 0.71
HTR2C P28335 3/20 0.71
HTR1D P28221 2/20 0.71
HTR1B P28222 2/20 0.71
HTR7 P34969 2/20 0.71
MPO P05164 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2A6 P11509 1/20 0.71
NFKB1 P19838 1/20 0.71
CTSK P43235 1/20 0.71
CYP2A13 Q16696 1/20 0.71
TAAR1 Q96RJ0 1/20 0.71
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 1/20 0.69
AHR P35869 1/20 0.69
GPR84 Q9NQS5 1/20 0.69

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
SCHEMBL29484985 0.98 HTR2A (0.69) HTR2ACYP3A4HTR6CYP2D6HTR2C
Hydrochloric Acid SCHEMBL5207471 0.98 PMP22 (0.72) HTR2ACYP3A4HTR6CYP2D6HTR2C
Hydrochloric Acid SCHEMBL21546062 0.98 PMP22 (0.72) HTR2ACYP3A4HTR6CYP2D6HTR2C
Oxalic Acid SCHEMBL4487013 0.89 KMT2A (0.66) HTR2ACYP3A4HTR6CYP2D6HTR2C
Tryptamine SCHEMBL8714244 0.83 HTR2A (1.00) HTR2ACYP3A4HTR6CYP2D6HTR2C
Tryptamine SCHEMBL26725 0.83 HTR2A (1.00) HTR2ACYP3A4HTR6CYP2D6HTR2C
Tryptamine SCHEMBL29373222 0.83 HTR2A (1.00) HTR2ACYP3A4HTR6CYP2D6HTR2C
Arundine SCHEMBL325162 0.82 MEN1 (1.00) HTR2ACYP3A4HTR6CYP2D6HTR2C
SCHEMBL4985934 0.82 HTR2A (0.77) HTR2ACYP3A4HTR6CYP2D6HTR2C
Tryptamine SCHEMBL274183 0.82 PMP22 (1.00) HTR2ACYP3A4HTR6CYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908874-A PAD4 inhibitor, preparation method thereof and application thereof in preparation of anti-pulmonary fibrosis drugs 首都医科大学 2024-11-08 CN claimed
CN-118754840-A Alpha, beta-unsaturated amide or hydrazide compound containing carbonyl structure, and preparation method and application thereof 贵州大学 2024-10-11 CN claimed
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US claimed
CN-111153848-B Method for synthesizing 3-aminomethylindole compound through non-catalytic Mannich reaction 成都睿智化学研究有限公司 2023-07-28 CN claimed
CN-116133442-A Perovskite solar cell based on organic molecule modified lithium salt doped hole transport layer 陕西师范大学 2023-05-16 CN claimed
CN-114213395-B Pyrimidone acyl piperazine compound and preparation method and application thereof 山东大学 2022-10-25 CN claimed
CN-114213395-A Pyrimidone acyl piperazine compound and preparation method and application thereof 山东大学 2022-03-22 CN claimed
WO-2021130257-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
CN-111153848-A Method for synthesizing 3-aminomethyl indole compound by non-catalytic Mannich reaction 成都睿智化学研究有限公司 2020-05-15 CN claimed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
JP-4641942-B2 2011-03-02 JP claimed
US-20080194553-A1 compounds that are capable of increasing the serum level of insulin-like growth factor 1 (IGF-1) for the preparation of a therapeutical composition,in the form of a food supplement, for the treatment of subjects suffering from serious fatigue and exhausting symptoms, burn-out and chronic fatigue syndrome VEIJLEN N.V. (NL) 2008-08-14 US claimed
CN-1938018-A Use of compounds capable of increasing serum IGF-1 levels for the preparation of therapeutic compositions for the treatment of various disease states associated with decreased IGF-1 serum levels in humans and animals VEIJLEN LTD (AN) 2007-03-28 CN claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP claimed
EP-1670444-A2 USE OF INDOLEACETIC ACID DERIVATIVES WHICH INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASES Veijlen N.V. (AN) 2006-06-21 EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO claimed
WO-2005039546-A2 USE OF INDOLEACETIC ACID DERIVATIVES WHICH INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASES VEIJLEN N.V. (AN) 2005-05-06 WO claimed
EP-0037271-B1 INDOLE DERIVATIVES AND PROCESS FOR PREPARING THE SAME TORAY INDUSTRIES, INC. (JP) 1984-01-18 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES FCER2, FCGR2A, FCGR1A HTR2A 1046/4885CYP3A4 698/4885HTR6 2425/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 HTR2A 484/4885CYP3A4 987/4885HTR6 222/4885

“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.