SCHEMBL4283405

SCHEMBL4283405

O=C(O)CC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
RORC P51449 1/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL21315836 1.00 SIGMAR1 (0.57) SIGMAR1RORCLMNAPOLBALDH1A1
SCHEMBL25154604 1.00 SIGMAR1 (0.57) SIGMAR1RORCLMNAPOLBALDH1A1
SCHEMBL10681973 0.89 SIGMAR1 (0.55) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL123695 0.85 SIGMAR1 (0.61) SIGMAR1LMNAPOLBALDH1A1GAA
SCHEMBL8408488 0.84 GBA1 (0.48) SIGMAR1RORCPOLBALDH1A1KMT2A
SCHEMBL25154296 0.84 MC4R (0.49) SIGMAR1ALDH1A1
SCHEMBL25154556 0.84 SIGMAR1 (0.47) SIGMAR1LMNAALDH1A1KMT2A
SCHEMBL25154734 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1
SCHEMBL25154270 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1
SCHEMBL65364 0.83 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216361-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2024-07-04 US disclosed
US-20230277527-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2023-09-07 US disclosed
WO-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed
CN-110139652-B ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2022-10-11 CN disclosed
EP-3532062-B1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES BV (US) 2022-07-20 EP disclosed
US-20220175765-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-06-09 US disclosed
US-20210069182-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-03-11 US disclosed
US-10905687-B2 Substituted piperazines as ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2021-02-02 US disclosed
US-20190269674-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES, BV (US) 2019-09-05 US disclosed
US-9133206-B2 Benzodiazepine and pyridodiazepine derivatives ABBVIE INC. (US) 2015-09-15 US disclosed
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES ABBVIE INC. 2014-06-12 US disclosed
US-8673896-B2 Benzodiazepine and pyridodiazepine derivatives ABBVIE INC. (US) 2014-03-18 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885RORC 1171/4885LMNA 1785/4885
US-20230277527-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885RORC 2/4885LMNA 2990/4885
US-20240216361-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885RORC 2/4885LMNA 2990/4885
US-20210069182-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885RORC 2/4885LMNA 2990/4885
US-10905687-B2 Substituted piperazines as ROR-gamma modulators RORC, RORA, RORB SIGMAR1 477/4885RORC 1/4885LMNA 2539/4885
US-20220175765-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885RORC 2/4885LMNA 2990/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 SIGMAR1 149/4885RORC 258/4885LMNA 1090/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885RORC 1171/4885LMNA 1785/4885
US-20190269674-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885RORC 2/4885LMNA 2990/4885

“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.