SCHEMBL2665616

SCHEMBL2665616

Cc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.45
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
CRHR1 P34998 3/20 0.39
KIF11 P52732 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CES1 P23141 1/20 0.38
SCN5A Q14524 2/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1221631 0.84 GPR3 (0.45) GPR3GAAALDH1A1POLBTHRB
SCHEMBL29427162 0.84 GPR3 (0.45) GPR3GAAALDH1A1POLBTHRB
SCHEMBL30867033 0.81 GPR3 (0.49) GPR3GAAFFAR4KIF11MAPK1
SCHEMBL171112 0.81 GPR3 (0.49) GPR3GAAFFAR4KIF11MAPK1
SCHEMBL12180463 0.78 GPR3 (0.44) GPR3FFAR4CRHR1SCN5AGRIN2B
SCHEMBL5158453 0.78 ALDH1A1 (0.46) GPR3GAAALDH1A1POLBTHRB
SCHEMBL15718212 0.78 GPR3 (0.46) GPR3GAAALDH1A1POLBTHRB
SCHEMBL30018924 0.78 GPR3 (0.46) GPR3GAAALDH1A1POLBTHRB
SCHEMBL900910 0.78 PDE2A (0.47) GPR3GAAFFAR4KIF11MAPK1
SCHEMBL20650170 0.78 GPR3 (0.46) GPR3GAAFFAR4KIF11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
CN-101263131-B Urea glucokinase activators TRANSTECH PHARMA INC 2013-04-24 CN disclosed
CN-101065363-B Novel benzimidazole derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV 2012-05-02 CN disclosed
CN-101133036-B Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV 2010-10-13 CN disclosed
CN-101263131-A Urea glucokinase activators NOVO NORDISK AS (US) 2008-09-10 CN disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
CN-101133036-A Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 CN disclosed
CN-101065363-A Novel benzimidazole derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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 (4 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 GPR3 566/4885GAA 1625/4885ALDH1A1 364/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR GPR3 619/4885GAA 1563/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR GPR3 610/4885GAA 1736/4885ALDH1A1 362/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA GPR3 3446/4885GAA 500/4885ALDH1A1 140/4885

“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.