SCHEMBL8260249

SCHEMBL8260249

CS/C(=N/c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
NPY5R Q15761 2/20 0.42
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CCR5 P51681 1/20 0.37
GALR3 O60755 1/20 0.36
IDO1 P14902 1/20 0.36
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 2/20 0.35
KDR P35968 1/20 0.35
AGTR1 P30556 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4882807 1.00 HRH3 (0.48) HRH3NPY5RTNKSTNKS2CCR5
SCHEMBL4882812 1.00 HRH3 (0.48) HRH3NPY5RTNKSTNKS2CCR5
SCHEMBL4887590 0.80 HSD11B1 (0.53) HRH3NPY5RCYP2D6HSD11B1AVPR1A
SCHEMBL4887585 0.80 HSD11B1 (0.53) HRH3NPY5RCYP2D6HSD11B1AVPR1A
SCHEMBL8257203 0.80 HSD11B1 (0.53) HRH3NPY5RCYP2D6HSD11B1AVPR1A
SCHEMBL4876958 0.75 SMN1; SMN2 (0.50) HRH3NPY5RTNKSTNKS2ALDH1A1
SCHEMBL4876953 0.75 SMN1; SMN2 (0.50) HRH3NPY5RTNKSTNKS2ALDH1A1
SCHEMBL8259094 0.74 HSD11B1 (0.50) IDO1CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL4681026 0.74 HSD11B1 (0.50) IDO1CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL4681025 0.74 HSD11B1 (0.50) IDO1CYP2D6ALDH1A1CYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 HRH3 27/4885NPY5R 193/4885TNKS 4502/4885

“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.