Sugi Predict

Sugi Predict / Compounds / SCHEMBL315796

SCHEMBL315796

SCHEMBL315796

COCc1nnc(C2CCN(C(=O)O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 3/20 0.45
▸ AVPR1A P37288 4/20 0.43
▸ GRM5 P41594 1/20 0.39
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KCNH2 Q12809 4/20 0.37
▸ AVPR2 P30518 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL8255797 0.87 MEN1 (0.52) MEN1KMT2AHSD17B10ALDH1A1USP2
SCHEMBL314703 0.86 AVPR1A (0.43) AVPR1AGRM5MEN1KMT2AHSD17B10
SCHEMBL315503 0.85 AVPR1A (0.39) OXTRAVPR1AGRM5MEN1KMT2A
SCHEMBL27648988 0.83 AVPR1A (0.43) AVPR1AGRM5MEN1KMT2AHSD17B10
SCHEMBL316950 0.81 OXTR (0.44) OXTRAVPR1AMEN1KMT2AALDH1A1
SCHEMBL315122 0.79 TSHR (0.42) AVPR1AKMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL8285418 0.76 MEN1 (0.53) MEN1KMT2AHSD17B10ALDH1A1USP2
SCHEMBL316099 0.75 OXTR (0.40) OXTRAVPR1AAVPR2
SCHEMBL10189996 0.74 MAPK11 (0.44) AVPR1AMAPK11MAPK14MEN1KMT2A
SCHEMBL4714987 0.74 AVPR1A (0.44) OXTRAVPR1AKCNH2

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-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
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — 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 (3 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 366/4885AVPR1A 533/4885GRM5 387/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 5/4885AVPR1A 1/4885GRM5 1669/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 68/4885AVPR1A 1/4885GRM5 476/4885

“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.