Sugi Predict

Sugi Predict / Compounds / SCHEMBL4713565

SCHEMBL4713565

SCHEMBL4713565

Cc1nnc(N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.47
▸ AVPR1A P37288 7/20 0.42
▸ BRD4 O60885 6/20 0.41
▸ OXTR P30559 6/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL8258430 0.87 AVPR1A (0.41) USP30AVPR1ABRD4OXTRTRPA1
SCHEMBL4713533 0.82 OPRL1 (0.51) AVPR1ABRD4OXTRTRPA1TRPM8
SCHEMBL4711275 0.75 DRD2 (0.46) AVPR1AOXTRCYP3A4
SCHEMBL4711858 0.74 AVPR1A (0.44) AVPR1ABRD4OXTRTRPA1TRPM8
SCHEMBL5155966 0.73 AVPR1A (0.48) AVPR1ABRD4OXTRTRPA1TRPM8
SCHEMBL8256810 0.73 AVPR1A (0.48) AVPR1ABRD4OXTRTRPA1TRPM8
SCHEMBL4903299 0.72 CCR5 (0.48) AVPR1AOXTRTRPA1TRPM8OPRM1
Hydrochloric Acid SCHEMBL315285 0.72 AVPR1A (0.47) AVPR1ABRD4OXTRTRPA1TRPM8
Hydrochloric Acid SCHEMBL5156223 0.72 AVPR1A (0.47) AVPR1ABRD4OXTRTRPA1TRPM8
SCHEMBL315737 0.72 NOTUM (0.56) AVPR1AOXTRTRPA1TRPM8KDM4E

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US claimed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 — — EP claimed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — WO claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 — — EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 USP30 3833/4885AVPR1A 1/4885BRD4 773/4885

“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.