SCHEMBL5161336

SCHEMBL5161336

COc1cccc(COC2CCN(C(=O)CN3CCCC3)CC2c2ccc(F)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
TACR1 P25103 1/20 0.39
HSD11B1 P28845 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CACNA1G O43497 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5159284 0.91 SIGMAR1 (0.40) HRH3TACR1SIGMAR1CCNT1CDK9
SCHEMBL6482708 0.91 SIGMAR1 (0.41) KMT2AMEN1TACR1SIGMAR1CCNT1
SCHEMBL5162344 0.89 SIGMAR1 (0.39) KMT2AMEN1TACR1SIGMAR1CCNT1
SCHEMBL5158340 0.89 MEN1 (0.44) KMT2AMEN1TACR1SIGMAR1KCNH2
SCHEMBL5174357 0.89 SIGMAR1 (0.39) TACR1SIGMAR1CCNT1CDK9
SCHEMBL5158719 0.89 KDM4E (0.41) TACR1SIGMAR1CCNT1CDK9
SCHEMBL5161802 0.88 TACR1 (0.40) TACR1SIGMAR1CCNT1CDK9
SCHEMBL5156675 0.88 TACR1 (0.47) KMT2AMEN1TACR1SIGMAR1
SCHEMBL6481715 0.86 HSD11B1 (0.37) KMT2AMEN1TACR1HSD11B1CCNT1
SCHEMBL5156763 0.86 TACR3 (0.40) OPRD1OPRK1TACR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KMT2A 1384/4885MEN1 786/4885OPRD1 345/4885

“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.