SCHEMBL316099

SCHEMBL316099

COCc1nnc(N2CCN(C(=O)O)CC2C)n1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.40
SMO Q99835 1/20 0.39
ADAMTS5 Q9UNA0 8/20 0.39
MMP2 P08253 5/20 0.39
AVPR1A P37288 4/20 0.37
MMP13 P45452 2/20 0.36
MDM2 Q00987 1/20 0.36
ADAM17 P78536 1/20 0.35
AVPR2 P30518 2/20 0.35
TACR1 P25103 1/20 0.35
OPRK1 P41145 1/20 0.35
GHSR Q92847 1/20 0.35
MMP14 P50281 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
AVPR1B P47901 1/20 0.34

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
SCHEMBL315678 0.90 SMO (0.53) SMO
SCHEMBL10189909 0.88 GPR119 (0.44)
SCHEMBL27669153 0.85 SMO (0.41) SMOADAMTS5MMP2AVPR1AMMP13
SCHEMBL315174 0.80 OXTR (0.42) OXTRSMOAVPR1AAVPR2TACR1
SCHEMBL316872 0.77 OXTR (0.39) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL13292486 0.77 GPR119 (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL315796 0.75 OXTR (0.45) OXTRAVPR1AAVPR2
SCHEMBL316997 0.74 SLC6A7 (0.51) OXTRSMOAVPR1ATACR1DRD2
SCHEMBL8285773 0.72 GPR119 (0.43) OXTRSMOAVPR1AAVPR2TACR1
SCHEMBL315784 0.72 OXTR (0.44) OXTRAVPR1AAVPR2TACR1OPRK1

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 OXTR 366/4885SMO 1752/4885ADAMTS5 2396/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 68/4885SMO 4009/4885ADAMTS5 459/4885

“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.