Sugi Predict

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SCHEMBL1164594

SCHEMBL1164594

CC(N)Cc1cn(C)c2ccc(F)c(OCc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 3/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ MAOB P27338 8/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL1164591 0.85 MAOB (0.46) MAOBIDO1ADRB2MAOATHRA
SCHEMBL1164593 0.84 MAOB (0.43) HTR2BHTR2CHTR2AMAOBIDO1
SCHEMBL1975288 0.82 ADRB2 (0.47) MAOBIDO1ADRB2MAOATHRA
SCHEMBL1163027 0.74 ADRB2 (0.49) HTR2AADRB2THRBSIGMAR1
SCHEMBL11214114 0.71 MAOB (0.71) HTR2BHTR2CHTR2AMAOBIDO1
SCHEMBL11214112 0.71 MAOB (0.71) HTR2BHTR2CHTR2AMAOBIDO1
SCHEMBL12558410 0.71 HTR2A (0.46) HTR2CHTR2AMAOBADRB2MAOA
Nordexfenfluramine SCHEMBL44927 0.70 HTR2A (1.00) HTR2BHTR2CHTR2AIDO1MAOA
Nordexfenfluramine SCHEMBL895637 0.70 HTR2A (1.00) HTR2BHTR2CHTR2AIDO1MAOA
Nordexfenfluramine SCHEMBL29390405 0.70 HTR2A (1.00) HTR2BHTR2CHTR2AIDO1MAOA

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 HTR2B 31/4885HTR2C 27/4885HTR2A 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.