SCHEMBL264730

SCHEMBL264730

NCCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
DAO P14920 3/20 0.50
TRPV4 Q9HBA0 1/20 0.48
MAOB P27338 5/20 0.46
F2 P00734 2/20 0.44
TMPRSS4 Q9NRS4 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
TKT P29401 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL5657097 0.89 DAO (0.48) TAAR1DAOTRPV4MAOBLOXL2
SCHEMBL29404783 0.84 LOXL2 (0.53) TAAR1DAOTRPV4MAOBLOXL2
SCHEMBL40545 0.84 LOXL2 (0.53) TAAR1DAOTRPV4MAOBLOXL2
Hydrochloric Acid SCHEMBL3494124 0.82 LOXL2 (0.55) DAOTRPV4MAOBLOXL2TKT
SCHEMBL5050010 0.81 TAAR1 (0.47) TAAR1F2TMPRSS4TP53CYP1A2
SCHEMBL3851699 0.81 DAO (0.50) DAOTRPV4MAOBTP53CYP1A2
SCHEMBL1259004 0.81 TKT (0.55) DAOTRPV4MAOBTSHRTKT
SCHEMBL694114 0.81 DAO (0.50) DAOTRPV4MAOBLOXL2TKT
SCHEMBL19615786 0.81 TRPV4 (0.53) DAOTRPV4MAOBLOXL2TKT
SCHEMBL991369 0.81 DAO (0.50) DAOTRPV4MAOBLOXL2TKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
CN-104884445-B Benzamide H.隆德贝克有限公司 2018-06-19 CN disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 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 (3 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 TAAR1 68/4885DAO 1311/4885TRPV4 491/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 TAAR1 87/4885DAO 18/4885TRPV4 944/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 TAAR1 524/4885DAO 1117/4885TRPV4 949/4885

“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.