SCHEMBL5897571

SCHEMBL5897571

c1ccc(NCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
MC1R Q01726 3/20 0.58
MC5R P33032 2/20 0.58
MC3R P41968 1/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR2A P28223 3/20 0.52

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
SCHEMBL13119267 0.87 HRH3 (0.59) HRH3MC1RMC5RMC3RKMT2A
SCHEMBL1514620 0.85 HRH3 (0.54) HRH3KMT2AMEN1MAPTGPR84
SCHEMBL11178183 0.83 KMT2A (0.64) HRH3KMT2AMEN1MAPTGPR84
SCHEMBL6599683 0.83 HTR2A (0.71) HRH3MC1RMC5RMC3RKMT2A
SCHEMBL12845369 0.82 HRH3 (0.54) HRH3MC1RMC5RMC3RKMT2A
Hydrochloric Acid SCHEMBL11602872 0.81 HTR2A (0.70) HRH3MC1RMC5RMC3RKMT2A
SCHEMBL30275174 0.81 GPR84 (0.59) HRH3GPR84LMNAHTR2AHTR1A
SCHEMBL11178205 0.81 GPR84 (0.59) HRH3GPR84HTR2AHTR1AHTR7
SCHEMBL8263301 0.81 PTGS2 (0.53) HRH3MC1RMC5RMC3RKMT2A
SCHEMBL11169278 0.80 MAPT (0.58) HRH3MC1RMC5RMC3RKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN claimed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
US-7060830-B2 Synthesized γ-carbolines GEORGE MASON INTELLECTUAL PROPERTIES, INC. (US) 2006-06-13 US disclosed
US-20050131010-A1 Synthesized gamma-carbolines WYNNE JAMES H (US) 2005-06-16 US disclosed
US-4372887-A DIURETIC, ANTITHROMBOGENIC, SMOOTH MUSCLE RELAXANTS MEAD JOHNSON & COMPANY (US) 1983-02-08 US disclosed
US-4259238-A ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4196212-A DIURETIC, ANTITHROMBOGENIC, SMOOTH MUSCLE RELAXANT, ANTIINFLAMMATORY MEAD JOHNSON & COMPANY (US) 1980-04-01 US disclosed
US-4072675-A DIURETICS, ANTICOAGULANTS, INOTROPIC AGENTS, ANTIINFLAMMATORY AGENTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1978-02-07 US disclosed
US-4049714-A DIURETIC, ANTITHROMBOGENIC, ANTIARRYTHMIC, ANTIINFLAMMATORY, MUSCLE RELAXANTS MEAD JOHNSON & COMPANY (US) 1977-09-20 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-20050131010-A1 Synthesized gamma-carbolines SNCA, PARK7, PRNP HRH3 469/4885MC1R 1933/4885MC5R 859/4885

“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.