SCHEMBL3702003

SCHEMBL3702003

COc1ccc(F)c([C@@H](C)N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
ADRA2A P08913 2/20 0.53
ADRA1A P35348 2/20 0.53
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
PDE2A O00408 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.40
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL20238552 1.00 CYP2D6 (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL2823287 1.00 CYP2D6 (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL18450260 0.98 MEN1 (0.54) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL29669014 0.98 MEN1 (0.54) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL20237872 0.98 MEN1 (0.54) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL20237873 0.98 MEN1 (0.54) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL20256745 0.86 ADRA2A (0.46) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL23123468 0.85 PDE2A (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL30932944 0.85 PDE2A (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL29757910 0.85 PDE2A (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
EP-3365334-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2018-08-29 EP disclosed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 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 (8 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-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha TNF, TNFRSF9, TNFRSF1A CYP2D6 3257/4885ADRA2A 1464/4885ADRA1A 685/4885
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP2D6 1108/4885ADRA2A 2563/4885ADRA1A 919/4885
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA TNF, TNFRSF9, TNFRSF1A CYP2D6 3257/4885ADRA2A 1464/4885ADRA1A 685/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CYP2D6 1108/4885ADRA2A 2563/4885ADRA1A 919/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CYP2D6 1108/4885ADRA2A 2563/4885ADRA1A 919/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP2D6 1125/4885ADRA2A 2644/4885ADRA1A 953/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP2D6 1108/4885ADRA2A 2563/4885ADRA1A 919/4885
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 CYP2D6 2567/4885ADRA2A 278/4885ADRA1A 286/4885

“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.