SCHEMBL5786396

SCHEMBL5786396

CCNC(=O)Nc1ccc2cc(OC)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.67
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.51
MTNR1A P48039 3/20 0.51
EPHX1 P07099 1/20 0.50
NAMPT P43490 1/20 0.50
PIK3CA P42336 1/20 0.49
PLAU P00749 1/20 0.49

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
SCHEMBL9435964 0.85 RAB9A (0.72) MTNR1BPOLBTP53NPC1RAB9A
SCHEMBL13480581 0.83 MTNR1B (0.72) MTNR1BRXFP1TP53TSHRNPC1
SCHEMBL13480580 0.83 EPHX1 (0.69) MTNR1BPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9428464 0.81 MTNR1A (0.65) MTNR1BPOLBRXFP1NPC1RAB9A
SCHEMBL10070470 0.80 MTNR1B (0.51) MTNR1BPOLBTP53TSHRNPC1
SCHEMBL4058023 0.79 NPC1 (0.56) POLBRXFP1TP53TSHRNPC1
SCHEMBL8027073 0.79 MTNR1A (0.63) MTNR1BTP53TSHRNPC1RAB9A
SCHEMBL11282040 0.78 RAB9A (0.66) MTNR1BPOLBTP53TSHRNPC1
SCHEMBL11782014 0.78 POLB (0.55) POLBRXFP1TP53NPC1RAB9A
SCHEMBL4064359 0.76 NPC1 (0.57) POLBRXFP1TP53TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053108-B2 Indoline compounds LES LABORATOIRES SERVIER (FR) 2006-05-30 US disclosed
EP-1348704-B1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2006-05-17 EP disclosed
US-6998403-B2 Benzoindoline compounds LES LABORATOIRES SERVIER (FR) 2006-02-14 US disclosed
EP-1516871-A1 Benzoindoline derivatives with adrenergic activity Les Laboratoires Servier (FR) 2005-03-23 EP disclosed
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia LES LABORATOIRES SERVIER (FR) 2005-03-17 US disclosed
US-20040192736-A1 New indoline compounds LAVIELLE GILBERT (FR) 2004-09-30 US disclosed
US-6759421-B2 N-(3-PYRIDYL)-1,2-DIHYDRO-3H-BENZO(E)INDOLE-3-CARBOXAMIDE DERIVATIVES USEFUL AS A 5-HT2C ANTAGONIST LES LABORATOIRES SERVIER (FR) 2004-07-06 US disclosed
US-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-10-23 US disclosed
EP-1348704-A1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-10-01 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 (3 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-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them TPH1, IDO1, HTR3A MTNR1B 177/4885POLB 1820/4885RXFP1 232/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D MTNR1B 631/4885POLB 2093/4885RXFP1 186/4885
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia HTR2C, HTR2A, ADRA2C MTNR1B 138/4885POLB 2302/4885RXFP1 364/4885

“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.