SCHEMBL4903299

SCHEMBL4903299

Cc1nnc(N2CCC(n3c(C)nc4ccccc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.48
CYP2D6 P10635 2/20 0.48
LMNA P02545 2/20 0.45
AVPR1A P37288 2/20 0.44
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDR P35968 1/20 0.41
UBE2N P61088 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRL1 P41146 1/20 0.41
OXTR P30559 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL4713988 0.91 AVPR1A (0.42) CCR5CYP2D6LMNAAVPR1AGALR3
SCHEMBL4711858 0.83 AVPR1A (0.44) CYP2D6LMNAAVPR1ARAB9ATSHR
SCHEMBL4711275 0.81 DRD2 (0.46) AVPR1AOXTRCYP3A4
SCHEMBL4711335 0.80 OPRM1 (0.58) CYP2D6LMNAMAPK1OPRM1OPRD1
SCHEMBL5155966 0.75 AVPR1A (0.48) CYP2D6AVPR1AOXTRKMT2ATRPA1
SCHEMBL8256810 0.75 AVPR1A (0.48) CYP2D6AVPR1ATSHROXTRMEN1
Hydrochloric Acid SCHEMBL5156223 0.74 AVPR1A (0.47) CYP2D6AVPR1ATSHROXTRMEN1
Hydrochloric Acid SCHEMBL315285 0.74 AVPR1A (0.47) CYP2D6AVPR1ATSHROXTRMEN1
SCHEMBL4760978 0.74 AVPR1A (0.47) AVPR1AOXTRTRPA1TRPM8
SCHEMBL4714355 0.74 AVPR1A (0.47) AVPR1AOXTRTRPA1TRPM8CYP2C9

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 CCR5 1132/4885CYP2D6 451/4885LMNA 2648/4885

“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.