SCHEMBL2425644

SCHEMBL2425644

COc1ccc(CN)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.49
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KIF11 P52732 2/20 0.44
APLNR P35414 1/20 0.43
HTR2A P28223 2/20 0.42
CYP1A2 P05177 2/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
HTR4 Q13639 1/20 0.42

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
Hydrochloric Acid SCHEMBL20767083 0.98 TAAR1 (0.49) TAAR1ADRA1AHTR2BKDM1AMAOA
SCHEMBL755721 0.89 TAAR1 (0.44) TAAR1ADRA1AHTR2BKDM1AMAOA
SCHEMBL3318610 0.88 TAAR1 (0.65) TAAR1ADRA1AMAOBHTR2ACYP1A2
SCHEMBL29828865 0.88 TAAR1 (0.65) TAAR1ADRA1AMAOBHTR2ACYP1A2
Hydrochloric Acid SCHEMBL1437152 0.86 TAAR1 (0.62) TAAR1ADRA1AMAOBHTR2ACYP1A2
Hydrochloric Acid SCHEMBL30639583 0.86 TAAR1 (0.62) TAAR1ADRA1AMAOBHTR2ACYP1A2
SCHEMBL3536393 0.84 TAAR1 (0.55) TAAR1ADRA1AHTR2BIDO1
SCHEMBL8132364 0.82 POLB (0.46) TAAR1ADRA1AKDM1AMAOAMAOB
SCHEMBL3110685 0.81 NQO1 (0.46) MAOBMAPTTSHR
SCHEMBL3677716 0.80 KDM1A (0.44) TAAR1ADRA1AKDM1AMAOAMAOB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 US disclosed
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 US disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US disclosed
EP-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20120202853-A1 SUBSTITUTED PYRAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
CN-1471512-A Geminally substituted alphavβ3Integrin antagonists 2004-01-28 CN 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 (9 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX TAAR1 4864/4885ADRA1A 4521/4885HTR2B 3816/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TAAR1 4858/4885ADRA1A 4554/4885HTR2B 3773/4885
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 TAAR1 2507/4885ADRA1A 1880/4885HTR2B 3479/4885
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 TAAR1 2507/4885ADRA1A 1880/4885HTR2B 3479/4885
US-20120202853-A1 SUBSTITUTED PYRAZOLES AS ESTROGEN RECEPTOR LIGANDS GPER1, ESR1, ESRRA TAAR1 804/4885ADRA1A 334/4885HTR2B 1545/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 TAAR1 2507/4885ADRA1A 1880/4885HTR2B 3479/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 TAAR1 2507/4885ADRA1A 1880/4885HTR2B 3479/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 TAAR1 45/4885ADRA1A 7/4885HTR2B 29/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 TAAR1 2507/4885ADRA1A 1880/4885HTR2B 3479/4885

“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.