SCHEMBL1738670

SCHEMBL1738670

CN1CCN(c2ccccc2C[C@@H]2CCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.40
WEE1 P30291 6/20 0.38
PLK1 P53350 6/20 0.38
BRD9 Q9H8M2 6/20 0.38
BRPF1 P55201 3/20 0.38
BRD4 O60885 2/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
BRD7 Q9NPI1 2/20 0.36
CHRM4 P08173 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1737725 1.00 ROCK2 (0.40) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1737753 1.00 ROCK2 (0.40) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1738510 0.95 WEE1 (0.37) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1738975 0.95 WEE1 (0.37) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1738446 0.95 WEE1 (0.37) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1738655 0.91 ROCK2 (0.42) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL12295015 0.91 ROCK2 (0.42) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1738777 0.91 ROCK2 (0.42) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL12295013 0.91 ROCK2 (0.42) ROCK2WEE1PLK1BRD9BRPF1
SCHEMBL1740171 0.91 ROCK2 (0.42) ROCK2WEE1PLK1BRD9BRPF1

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 19 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 claimed
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN claimed
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 claimed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP claimed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US claimed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 WO claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
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
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN 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 ROCK2 4391/4885WEE1 1818/4885PLK1 3566/4885

“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.