SCHEMBL4876933

SCHEMBL4876933

Cc1ncc2c(n1)CN(c1nnc(Cn3nccn3)n1-c1ccc(Cl)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
HSP90AB1 P08238 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 1/20 0.30

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
SCHEMBL4881588 0.92 MAPK1 (0.33) AVPR2OXTRAVPR1AHSP90AB1USP2
SCHEMBL4884416 0.85 USP2 (0.35) AVPR2OXTRAVPR1AUSP2CYP1A2
SCHEMBL4887345 0.82 TIPARP (0.36) OXTRAVPR1AHSP90AB1USP2CYP1A2
SCHEMBL4619490 0.81 TRPA1 (0.39) OXTRAVPR1AUSP2CYP1A2CYP3A4
SCHEMBL4740390 0.81 TRPA1 (0.30) AVPR2OXTRAVPR1ATRPA1TRPM8
SCHEMBL4882039 0.78 USP2 (0.33) AVPR1AHSP90AB1USP2CYP1A2CYP3A4
SCHEMBL4619486 0.76 PDK2 (0.32) AVPR1AUSP2TRPA1TRPM8
SCHEMBL4685446 0.75 DRD2 (0.35) AVPR1AUSP2TRPA1TRPM8KCNH2
SCHEMBL4624366 0.74 TRPA1 (0.34) AVPR1AUSP2CYP1A2CYP3A4TRPA1
SCHEMBL4621202 0.74 PDK2 (0.31) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
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
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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 (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 AVPR2 3/4885OXTR 11/4885AVPR1A 1/4885

“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.