SCHEMBL4897404

SCHEMBL4897404

CC(C)c1nc(C2CCN(c3nnc(Cn4nccn4)n3-c3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OXTR P30559 2/20 0.33
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.31
ENPP2 Q13822 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR6 P50406 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
SCHEMBL4715199 0.84 AVPR1A (0.45) AVPR1AHCRTR1HCRTR2SMN1; SMN2NPC1
SCHEMBL4685389 0.77 AVPR1A (0.38) AVPR1AOXTRTRPA1TRPM8KCNH2
SCHEMBL316421 0.74 NOTUM (0.48) AVPR1ASMN1; SMN2TRPA1TRPM8HTT
SCHEMBL4620868 0.74 WDR91 (0.39) AVPR1AOXTRTRPA1TRPM8CNR2
SCHEMBL4622389 0.72 TRPA1 (0.38) AVPR1ASMN1; SMN2TRPA1TRPM8DRD2
SCHEMBL5157145 0.72 AVPR1A (0.40) AVPR1AOXTRTRPA1TRPM8DRD2
SCHEMBL15451275 0.69 TRPV1 (0.42) AVPR1AKCNH2CNR1CNR2GAA
SCHEMBL315330 0.69 MCHR1 (0.40) OXTR
SCHEMBL4619490 0.69 TRPA1 (0.39) AVPR1ASMN1; SMN2NPC1RAB9AOXTR
SCHEMBL4712568 0.69 CNR2 (0.51) AVPR1AKCNH2CNR1CNR2BRD4

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 2 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
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885HCRTR1 41/4885HCRTR2 38/4885

“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.