SCHEMBL316997

SCHEMBL316997

COCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2)n1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.51
SMO Q99835 6/20 0.48
OXTR P30559 5/20 0.41
AVPR1A P37288 3/20 0.40
TACR3 P29371 5/20 0.39
TACR1 P25103 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MGLL Q99685 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TACR2 P21452 1/20 0.38

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
SCHEMBL315174 0.90 OXTR (0.42) SLC6A7SMOOXTRAVPR1ATACR1
SCHEMBL8285773 0.86 GPR119 (0.43) SLC6A7SMOOXTRAVPR1ATACR1
SCHEMBL315678 0.77 SMO (0.53) SLC6A7SMO
SCHEMBL315784 0.77 OXTR (0.44) OXTRAVPR1ATACR1CYP2C19KCNH2
SCHEMBL27648789 0.75 SMO (0.43) SLC6A7SMOTACR3
SCHEMBL316099 0.74 OXTR (0.40) SMOOXTRAVPR1ATACR1DRD2
SCHEMBL13292486 0.74 GPR119 (0.43) OXTRAVPR1ATACR1CYP1A2CYP2C9
SCHEMBL316100 0.70 SMN1; SMN2 (0.50) OXTRMGLL
SCHEMBL4619815 0.70 OXTR (0.49) OXTRAVPR1ATACR1CYP2C19KCNH2
SCHEMBL316872 0.69 OXTR (0.39) OXTRAVPR1ATACR1CYP2D6

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 12 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
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US 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-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 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 SLC6A7 4087/4885SMO 1752/4885OXTR 366/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SLC6A7 1464/4885SMO 4009/4885OXTR 68/4885

“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.