SCHEMBL8285773

SCHEMBL8285773

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
MAP4K4 O95819 1/20 0.41
OXTR P30559 7/20 0.39
HDAC1 Q13547 1/20 0.38
AVPR1A P37288 4/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMO Q99835 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SLC6A7 Q99884 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
TACR1 P25103 1/20 0.36
AVPR2 P30518 1/20 0.36
OPRK1 P41145 1/20 0.36
GHSR Q92847 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
SCHEMBL315174 0.88 OXTR (0.42) OXTRAVPR1ASMOSLC6A7TACR1
SCHEMBL13292486 0.86 GPR119 (0.43) GPR119SUV39H2OXTRAVPR1AHTT
SCHEMBL316997 0.86 SLC6A7 (0.51) OXTRAVPR1ASMOSLC6A7TACR1
SCHEMBL10189909 0.82 GPR119 (0.44) GPR119HTTSMN1; SMN2NPSR1CNR1
SCHEMBL315784 0.74 OXTR (0.44) OXTRAVPR1ATACR1AVPR2OPRK1
SCHEMBL8255797 0.74 MEN1 (0.52) GPR119SMN1; SMN2NPSR1CNR1
SCHEMBL27648789 0.73 SMO (0.43) SUV39H2SMN1; SMN2SMOSLC6A7
SCHEMBL316099 0.72 OXTR (0.40) OXTRAVPR1ASMOTACR1AVPR2
SCHEMBL13279273 0.72 GPR119 (0.51) GPR119SUV39H2MAP4K4HDAC1NR1H2
SCHEMBL15441723 0.72 GPR119 (0.51) GPR119SUV39H2MAP4K4HDAC1NR1H2

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 5 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-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
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 GPR119 379/4885SUV39H2 1275/4885MAP4K4 1356/4885

“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.