SCHEMBL4618544

SCHEMBL4618544

COCc1ccc2c(c1)CN(c1nnc(C)n1-c1ccc(Cl)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.36
AVPR1A P37288 10/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
AVPR2 P30518 2/20 0.33
FAAH O00519 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NAMPT P43490 1/20 0.32
TACR1 P25103 1/20 0.32
OPRK1 P41145 1/20 0.32
GHSR Q92847 1/20 0.32
HPGD P15428 1/20 0.32
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL4618452 0.87 BRD4 (0.40) OXTRAVPR1ABRD4KDM4EHPGD
SCHEMBL4620922 0.79 BRD4 (0.46) OXTRAVPR1ABRD4KDM4ETRPA1
SCHEMBL4618519 0.77 MAOB (0.36) OXTRAVPR1ABRD4KDM4ETRPA1
SCHEMBL4621605 0.76 ALDH1A1 (0.41) BRD4KDM4EHPGD
SCHEMBL4619815 0.75 OXTR (0.49) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL8252339 0.70 AVPR1A (0.36) OXTRAVPR1AAVPR2BRD4TACR1
SCHEMBL4685446 0.69 DRD2 (0.35) AVPR1ABRD4KDM4ETRPA1TRPM8
SCHEMBL4643814 0.67 BRD4 (0.50) OXTRAVPR1ABRD4KDM4EHPGD
SCHEMBL8285404 0.67 ADRB1 (0.56) AVPR1ABRD4TRPA1TRPM8
Hydrochloric Acid SCHEMBL315352 0.66 ADRB1 (0.54) AVPR1ABRD4TRPA1TRPM8

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
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP claimed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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 (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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 OXTR 11/4885AVPR1A 1/4885ROCK2 2418/4885

“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.