SCHEMBL4512302

SCHEMBL4512302

CC(C)(c1ccccc1)N1CCC(Cc2c(F)cccc2F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
HSD11B1 P28845 2/20 0.36
CYP2B6 P20813 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
GNRHR P30968 2/20 0.33
CHRM3 P20309 1/20 0.33
OPRM1 P35372 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4503420 0.86 HTR2A (0.35) ROCK2HSD11B1CYP2B6SIGMAR1CHRM3
SCHEMBL4503965 0.82 CYP26A1 (0.45) HSD11B1CYP2B6CHRM3ALDH1A1KDM4E
SCHEMBL4514533 0.79 CYP2D6 (0.47) SIGMAR1ALDH1A1
SCHEMBL16885921 0.72 CYP2B6 (0.42) ROCK2HSD11B1CYP2B6CHRM3OPRM1
SCHEMBL5130451 0.72 ROCK2 (0.44) ROCK2HSD11B1GNRHRALDH1A1
SCHEMBL14177638 0.72 ROCK2 (0.44) ROCK2HSD11B1GNRHRALDH1A1
SCHEMBL4518018 0.72 ROCK2 (0.44) ROCK2HSD11B1GNRHRALDH1A1
SCHEMBL14177643 0.72 ROCK2 (0.44) ROCK2HSD11B1GNRHRALDH1A1
SCHEMBL5198683 0.70 SIGMAR1 (0.46) ROCK2HSD11B1SIGMAR1OPRM1ALDH1A1
SCHEMBL3545096 0.68 HSD11B1 (0.66) ROCK2HSD11B1ALDH1A1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ROCK2 2463/4885HSD11B1 1/4885CYP2B6 550/4885

“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.