SCHEMBL23520554

SCHEMBL23520554

C[C@@H](N)c1cccc(C(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
MIF P14174 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ADRB2 P07550 1/20 0.39
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE2A O00408 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
DPP4 P27487 2/20 0.35

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
SCHEMBL4550414 1.00 ADRB1 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL30137615 1.00 ADRB1 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
Hydrochloric Acid SCHEMBL2715092 0.98 ALDH1A1 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
Hydrochloric Acid SCHEMBL23247079 0.98 ALDH1A1 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL659099 0.90 ADRB2 (0.46) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL27089977 0.87 ADRB2 (0.39) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL1538725 0.84 PGK1 (0.48) PGK1PGK2KDM4EALDH1A1NOTUM
SCHEMBL14847092 0.83 HDAC4 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL14975715 0.83 HDAC4 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
Hydrochloric Acid SCHEMBL14122255 0.81 ALDH1A1 (0.45) ADRB1MIFHTR2AADRA1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4600243-A2 NOVEL BICYCLIC HETEROCYCLYL COMPOUNDS AND USE THEREOF Jeil Pharmaceutical Co., Ltd. (KR) 2025-08-13 EP disclosed
US-20250154147-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2025-05-15 US disclosed
EP-4463454-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2024-11-20 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES MEDSHINE DISCOVERY INC. (CN) 2024-06-27 US disclosed
WO-2024075070-A2 NOVEL BICYCLIC HETEROCYCLYL COMPOUNDS AND USE THEREOF 제일약품주식회사 2024-04-11 WO disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023135260-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-07-20 WO disclosed
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 WO disclosed
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 WO disclosed
WO-2023109929-A1 HETEROCYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-06-22 WO disclosed
CN-115611888-A Pyridopyrimidinone derivative and preparation method and application thereof 浙江海正药业股份有限公司 2023-01-17 CN disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 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 (3 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-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES CYP3A7, UGT2B7, CYP51A1 ADRB1 2702/4885MIF 4420/4885HTR2A 3367/4885
US-20250154147-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST ADRB1 1661/4885MIF 3707/4885HTR2A 2741/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST ADRB1 687/4885MIF 3316/4885HTR2A 3386/4885

“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.