SCHEMBL16322010

SCHEMBL16322010

O=COC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LIG1 P18858 1/20 0.31
HDAC1 Q13547 1/20 0.30
HSD11B1 P28845 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL5642733 0.81 OPRM1 (0.33) CA1CA2OPRM1
SCHEMBL697114 0.81 MAOB (0.36) MAOAMAOBHSD11B1OPRM1
SCHEMBL75311 0.81 HSD17B10 (0.38) MAOAMAOBHSD11B1
SCHEMBL6583308 0.81 CYP2A6 (0.38) CYP2A6MAOAMAOBPIM1PIM2
SCHEMBL348386 0.80 MEN1 (0.39) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL697388 0.79 ALDH1A1 (0.41) MAOAMAOBPIM1PIM2HSD11B1
SCHEMBL11878550 0.78 SLC6A2 (0.40) CA1CA2
SCHEMBL1898153 0.78 ALDH1A1 (0.45) CYP2A6MAOAMAOBPIM1PIM2
SCHEMBL1759977 0.77 CYP19A1 (0.33) MAOAHSD11B1
SCHEMBL16321554 0.76 KDM1A (0.33)

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-9018249-B2 SGLT inhibitors PANACEA BIOTEC LIMITED (IN) 2015-04-28 US disclosed
US-20140378540-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC PHARMA LIMITED (IN) 2014-12-25 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-20140378540-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 CYP2A6 260/4885MAOA 2319/4885MAOB 1900/4885

“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.