SCHEMBL7732261

SCHEMBL7732261

CCC(c1ccc(F)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL17084074 1.00 ESR1 (0.46) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL17084078 1.00 ESR1 (0.46) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL12872171 0.84 ESR1 (0.45) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL24875550 0.83 LMNA (0.43) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL9604739 0.80 TRPA1 (0.52) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL9908242 0.80 TRPA1 (0.52) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL11627988 0.80 TAAR1 (0.63) SLC6A2SLC6A3AOC3TRPA1TAAR1
SCHEMBL23188100 0.79 ESR1 (0.48) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL17736720 0.78 ESR1 (0.79) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL4634694 0.77 ESR1 (0.78) ESR1LMNACYP1A2PGRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225664-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-11-23 WO disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS InventisBio Co., Ltd. (CN) 2021-11-18 US disclosed
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 US disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 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 (12 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-20100137320-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ESR1 2738/4885LMNA 2155/4885CYP1A2 3592/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR ESR1 1529/4885LMNA 2942/4885CYP1A2 635/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ESR1 2873/4885LMNA 1935/4885CYP1A2 3452/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ESR1 1216/4885LMNA 3731/4885CYP1A2 188/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ESR1 2873/4885LMNA 1935/4885CYP1A2 3452/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 ESR1 1105/4885LMNA 4170/4885CYP1A2 464/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ESR1 1216/4885LMNA 3731/4885CYP1A2 188/4885
US-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS TSHR, THRA, TRHR ESR1 422/4885LMNA 3230/4885CYP1A2 606/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR ESR1 1529/4885LMNA 2942/4885CYP1A2 635/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 ESR1 2580/4885LMNA 2267/4885CYP1A2 3064/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ESR1 2880/4885LMNA 1877/4885CYP1A2 3599/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G ESR1 2540/4885LMNA 4464/4885CYP1A2 1305/4885

“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.