Sugi Predict

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SCHEMBL314703

SCHEMBL314703

O=C(O)N1CCC(c2nnc(CO)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 2/20 0.43
▸ KCNH2 Q12809 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL315796 0.86 OXTR (0.45) AVPR1AKCNH2L3MBTL1GRM5ALDH1A1
SCHEMBL8285418 0.84 MEN1 (0.53) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL315122 0.82 TSHR (0.42) AVPR1AKCNH2ALDH1A1HSD17B10HTT
SCHEMBL315503 0.81 AVPR1A (0.39) AVPR1AKCNH2L3MBTL1GRM5ALDH1A1
SCHEMBL27648988 0.80 AVPR1A (0.43) AVPR1AKCNH2L3MBTL1GRM5HSD17B10
SCHEMBL10189996 0.76 MAPK11 (0.44) AVPR1AKCNH2ALDH1A1MEN1KMT2A
SCHEMBL314967 0.75 AKR1C3 (0.45) AVPR1AHTTAKR1C3MEN1KMT2A
SCHEMBL10189997 0.75 AVPR1A (0.47) AVPR1AALDH1A1HTTAKR1C3MEN1
SCHEMBL8255797 0.73 MEN1 (0.52) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL15451333 0.71 AVPR1A (0.46) AVPR1AL3MBTL1ALDH1A1ALOX15MEN1

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
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 — — CN 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 AVPR1A 533/4885KCNH2 3025/4885L3MBTL1 3922/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 62/4885L3MBTL1 4863/4885

“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.