SCHEMBL8090925

SCHEMBL8090925

CC(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
RIPK1 Q13546 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL1416399 1.00 TAAR1 (0.41) TAAR1RIPK1ADRA2AADRA2CCYP2D6
SCHEMBL13852044 1.00 TAAR1 (0.41) TAAR1RIPK1ADRA2AADRA2CCYP2D6
SCHEMBL19706344 0.86 PTGS2 (0.48) ALDH1A1
SCHEMBL24682880 0.82 HTR2A (0.42) TAAR1ADRA2CLMNASIGMAR1
SCHEMBL13563587 0.82 RIPK1 (0.43) TAAR1RIPK1ADRA2AADRA2CCYP2D6
SCHEMBL12346316 0.81 LTA4H (0.47) ALDH1A1
SCHEMBL12354676 0.81 LTA4H (0.47) ALDH1A1
SCHEMBL16785292 0.79 PTPN5 (0.41) CYP2D6LMNAHIF1AKDM4EALDH1A1
SCHEMBL13852045 0.77 IDO1 (0.39) KDM4EALDH1A1
SCHEMBL12602992 0.77 CHRNA7 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US claimed
WO-2024042316-A1 PYRIDO-PYRAZOLES AS INHIBITORS OF DDR'S FOR THE TREATMENT OF FIBROTIC DISORDERS AND CANCER REDX PHARMA PLC. (GB) 2024-02-29 WO disclosed
EP-3816158-B1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF AS IDH1 INHIBITORS KPC PHARMACEUTICALS INC (CN) 2023-10-25 EP disclosed
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed
WO-2023021278-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2023-02-23 WO disclosed
EP-3816158-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF AS IDH1 INHIBITORS KPC Pharmaceuticals, Inc. (CN) 2021-05-05 EP disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 EP disclosed
EP-3390395-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2020-09-09 EP disclosed
US-10662208-B2 Hydrosilylation process using a germylene-based organic catalyst ELKEM SILICONES FRANCE SAS (FR) 2020-05-26 US disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 WO disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070015731-A1 5,6-Di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 US disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0695295-A1 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
US-5405867-A Milbemycin derivatives with insecticidal and anthelmintic properties; for plants and animals SANKYO COMPANY, LIMITED (JP) 1995-04-11 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 (4 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-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 TAAR1 518/4885RIPK1 1964/4885ADRA2A 1532/4885
US-20070015731-A1 5,6-Di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands CXCR5, CCR5, CXCR1 TAAR1 408/4885RIPK1 2326/4885ADRA2A 639/4885
US-20070010672-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, MC1R TAAR1 1135/4885RIPK1 2321/4885ADRA2A 1866/4885
US-10662208-B2 Hydrosilylation process using a germylene-based organic catalyst GMNN, HACL2, HVCN1 TAAR1 3549/4885RIPK1 2152/4885ADRA2A 4317/4885

“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.