SCHEMBL2210485

SCHEMBL2210485

O=C1C(Cc2ccc(Br)cc2Cl)CCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PKM P14618 2/20 0.33
OPRM1 P35372 4/20 0.32
PARP1 P09874 1/20 0.32
NPC1 O15118 2/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNB4 O00305 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
SCHEMBL2235214 0.89 ATM (0.42) HSD11B1ALDH1A1GAAATMNPC1
SCHEMBL2209243 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1GAAATMCYP2C9
SCHEMBL4515408 0.88 HSD11B1 (0.37) SMN1; SMN2HSD11B1ALDH1A1GAAATM
SCHEMBL474708 0.87 HSD11B1 (0.40) HSD11B1OPRM1PARP1P2RX7FPR2
SCHEMBL4504660 0.86 HSD11B1 (0.36) HSD11B1ALDH1A1GAAATMP2RX7
SCHEMBL2206168 0.86 ALDH1A1 (0.40) SMN1; SMN2HSD11B1ALDH1A1GAACYP2C19
SCHEMBL4500714 0.85 HSD11B1 (0.45) HSD11B1ALDH1A1GAACYP2C9CYP2C19
SCHEMBL13674528 0.84 HSD11B1 (0.38) HSD11B1OPRM1P2RX7
SCHEMBL4510092 0.84 HSD11B1 (0.38) HSD11B1OPRM1P2RX7
SCHEMBL2990822 0.83 HSD11B1 (0.54) SMN1; SMN2HSD11B1ALDH1A1OPRM1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029579-B1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2014-12-31 EP disclosed
US-7981918-B2 Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-07-19 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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US 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 (2 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 SMN1; SMN2 4487/4885HSD11B1 1/4885ALDH1A1 51/4885
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 SMN1; SMN2 4355/4885HSD11B1 1/4885ALDH1A1 109/4885

“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.