SCHEMBL5941398

SCHEMBL5941398

CCN1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.43
HTR1F P30939 1/20 0.43
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
THRB P10828 1/20 0.38
TDO2 P48775 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPK14 Q16539 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL5852002 0.84
SCHEMBL5941196 0.74 KDM4E (0.50) HTR1FDRD2THRBMAPK14
SCHEMBL5941170 0.73 CHRM2 (0.56) PRCPTHRBTGFBR1MAPK14
SCHEMBL5850015 0.71 MAPK14 (0.60) DRD2MAPK14
SCHEMBL10819399 0.69 DRD4 (0.54) DRD2
SCHEMBL5851748 0.68 MAPK14 (0.46) HTR1FMAPK14
SCHEMBL4026775 0.67 CSNK1A1 (0.70) MAPK14
Fluorobenzene SCHEMBL27493236 0.67 SCD (0.46) HTR1F
SCHEMBL19117549 0.66 DRD4 (0.50) DRD2
SCHEMBL3845634 0.66 DRD4 (0.50) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B PRCP 2957/4885HTR1F 2571/4885DRD2 1496/4885

“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.