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SCHEMBL1164593

SCHEMBL1164593

CC(CN)c1cn(C)c2ccc(F)c(OCc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.43
▸ IDO1 P14902 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ MAPT P10636 1/20 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
SCHEMBL1164594 0.84 HTR2B (0.50) MAOBIDO1HTR2AHTR2CHTR2B
SCHEMBL1164591 0.83 MAOB (0.46) MAOBIDO1TAAR1L3MBTL1ALDH1A1
SCHEMBL1975288 0.78 ADRB2 (0.47) MAOBIDO1MAOAADRB2THRA
SCHEMBL1163027 0.72 ADRB2 (0.49) HTR2AKDM4EADRB2THRBSIGMAR1
SCHEMBL12558410 0.69 HTR2A (0.46) MAOBHTR2AHTR2CKDM4EMAOA
SCHEMBL24780631 0.65 PDE2A (0.47) MAOBIDO1HTR2AHTR2CHTR2B
SCHEMBL12558406 0.64 KDM1A (0.40) MAOBHTR2AGAAMAOA
SCHEMBL18002309 0.64 MAPT (0.60) MAOBIDO1TAAR1L3MBTL1ALDH1A1
SCHEMBL26965694 0.63 HTR2A (0.52) IDO1HTR2AHTR2CHTR2BTAAR1
SCHEMBL10819598 0.62 IDO1 (0.62) MAOBIDO1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 — — US claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 — — EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 — — US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 — — WO claimed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 — — US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 — — EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 — — US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 — — WO 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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MAOB 9/4885IDO1 4/4885HTR2A 34/4885

“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.