SCHEMBL3055393

SCHEMBL3055393

NCCc1ccccc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 1.00
IDO1 P14902 2/20 0.52
HTR2A P28223 3/20 0.50
CYP2A6 P11509 2/20 0.45
HTR6 P50406 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
CTSK P43235 1/20 0.45
CYP2A13 Q16696 1/20 0.45
HRH1 P35367 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PMP22 Q01453 1/20 0.44

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 SCHEMBL11155845 0.98 TAAR1 (0.95) TAAR1IDO1HTR2ACYP2A6HTR6
Hydrochloric Acid SCHEMBL29385879 0.98 TAAR1 (0.95) TAAR1IDO1HTR2ACYP2A6HTR6
SCHEMBL9330130 0.86 TAAR1 (0.75) TAAR1IDO1HTR2ACYP2A6MPO
SCHEMBL31282089 0.84 TAAR1 (0.72) TAAR1IDO1MPOHRH1
SCHEMBL18396468 0.84 TAAR1 (0.72) TAAR1IDO1MPOHRH1
SCHEMBL32673432 0.82 TAAR1 (0.69) TAAR1IDO1MPOHRH1
SCHEMBL224549 0.81 TAAR1 (0.70) TAAR1HTR2ACYP2A6HTR6HTR1D
SCHEMBL17151873 0.80 TAAR1 (0.67) TAAR1IDO1HTR2AHTR6CYP1A2
SCHEMBL1765174 0.79
SCHEMBL11010381 0.77 TAAR1 (0.62) TAAR1IDO1HTR2AHTR6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
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
CN-118201447-A Method for preparing perovskite film by passivating agent assisted domain-limited annealing and perovskite solar cell 苏州大学 2024-06-14 CN 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
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
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-07-07 US disclosed
US-8853203-B2 Diazepinone derivatives NOVARTIS AG (CH) 2014-10-07 US disclosed
US-20140057902-A1 Diazepinone derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-20140057902-A1 Diazepinone derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
WO-2014030128-A1 DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE NOVARTIS AG (CH) 2014-02-27 WO disclosed
US-20140057902-A1 Diazepinone derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP 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 (6 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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 TAAR1 685/4885IDO1 1700/4885HTR2A 3716/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TAAR1 685/4885IDO1 1700/4885HTR2A 3716/4885
US-20140057902-A1 Diazepinone derivatives ADRB1, ADRB2, BRD4 TAAR1 248/4885IDO1 852/4885HTR2A 315/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TAAR1 686/4885IDO1 1712/4885HTR2A 3719/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885IDO1 1019/4885HTR2A 4718/4885
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY TDO2, TFPI, PPIG TAAR1 2843/4885IDO1 126/4885HTR2A 3441/4885

“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.