SCHEMBL1738775

SCHEMBL1738775

CN1CCN(c2ccccc2CC2CCCN(c3ccc(-n4cccn4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 7/20 0.38
BRPF1 P55201 3/20 0.38
BRD4 O60885 2/20 0.38
NCF1 P14598 1/20 0.38
ADAM17 P78536 4/20 0.37
ROCK2 O75116 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
BRD7 Q9NPI1 2/20 0.37
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM1A O60341 1/20 0.35
ADAM10 O14672 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL1738691 1.00 BRD9 (0.38) BRD9BRPF1BRD4NCF1ADAM17
SCHEMBL1738321 0.81 FPR2 (0.43) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL1737767 0.81 FPR2 (0.43) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL1740165 0.81 FPR2 (0.43) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL6431223 0.80 SLC6A2 (0.53) ROCK2DRD2DRD4DRD3
SCHEMBL6434969 0.79 ROCK2 (0.44) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL1738368 0.79 NCF1 (0.38) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL1738815 0.79 NCF1 (0.38) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL1737661 0.79 NCF1 (0.38) BRD9BRPF1BRD4NCF1ROCK2
SCHEMBL27686637 0.79 NCF1 (0.36) BRD9BRPF1BRD4NCF1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP claimed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US claimed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 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 (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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A BRD9 3424/4885BRPF1 3541/4885BRD4 1553/4885

“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.