SCHEMBL7120569

SCHEMBL7120569

COc1ccc(-n2nc(C)cc2C)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL16910742 0.80 MAPT (0.52) MAPTPOLBSMN1; SMN2RXFP1ALDH1A1
SCHEMBL7051253 0.79 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL28255695 0.78 BRD9 (0.47) MAPTPOLBALDH1A1HPGDCYP1A2
SCHEMBL9435026 0.78 MAPT (0.50) MAPTPOLBSMN1; SMN2RXFP1ALDH1A1
SCHEMBL4205532 0.76 ATM (0.45) MAPTPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL27920302 0.75 ALDH1A1 (0.57) MAPTPOLBSMN1; SMN2RXFP1ALDH1A1
SCHEMBL7053621 0.74 NPC1 (0.39) MAPTPOLBALDH1A1HPGDCYP1A2
SCHEMBL15362174 0.73 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL8531896 0.73 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL29120365 0.72 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO 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 (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-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 MAPT 2983/4885POLB 4412/4885SMN1; SMN2 1543/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 MAPT 2850/4885POLB 4290/4885SMN1; SMN2 1485/4885

“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.