SCHEMBL4500800

SCHEMBL4500800

CC(C)(c1ccccc1)N1CCC(Cc2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP27A1 Q02318 1/20 0.48
CYP24A1 Q07973 1/20 0.48
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.39
ATM Q13315 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
GAA P10253 1/20 0.39
C5AR1 P21730 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP26A1 O43174 1/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL4503965 0.85 CYP26A1 (0.45) CYP24A1KDM4EALDH1A1ATMNPSR1
SCHEMBL4514533 0.82 CYP2D6 (0.47) CYP27A1CYP24A1ALDH1A1KMT2ASIGMAR1
SCHEMBL4512302 0.80 ROCK2 (0.42) KDM4EALDH1A1TDP1SIGMAR1
SCHEMBL4503420 0.77 HTR2A (0.35) KDM4EALDH1A1NPSR1TDP1SIGMAR1
SCHEMBL4526223 0.75 CYP27A1 (0.47) CYP27A1CYP24A1C5AR1P2RX7SLC6A2
SCHEMBL3551332 0.72 HSD11B1 (0.64) CYP27A1CYP24A1KDM4EALDH1A1NPSR1
SCHEMBL253085 0.72 CYP27A1 (0.44) CYP27A1CYP24A1KDM4EALDH1A1ATM
SCHEMBL16885921 0.70 CYP2B6 (0.42) ALDH1A1ATM
SCHEMBL13036871 0.69 KDM4E (0.47) CYP27A1CYP24A1KDM4EALDH1A1ATM
SCHEMBL12143801 0.68 KDM4E (0.48) KDM4EALDH1A1ATMNPSR1TDP1

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 CYP27A1 18/4885CYP24A1 54/4885KDM4E 2703/4885

“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.