SCHEMBL856734

SCHEMBL856734

NCc1c(F)cc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
DGAT1 O75907 1/20 0.34
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
HTR2A P28223 2/20 0.32
GPR17 Q13304 1/20 0.30
IDO1 P14902 1/20 0.30

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 SCHEMBL21715060 0.97 TAAR1 (0.38) TAAR1DGAT1KDM1AKDM1BHTR2A
SCHEMBL29303353 0.84 HTR1D (0.35) TAAR1KDM1AKDM1B
SCHEMBL20659323 0.84 TAAR1 (0.34) TAAR1KDM1AKDM1B
SCHEMBL3980087 0.82 TAAR1 (0.60) TAAR1DGAT1HTR2AGPR17
SCHEMBL29303370 0.81 KDM1A (0.34) TAAR1KDM1AHTR2A
SCHEMBL20879914 0.80 TAAR1 (0.32) TAAR1
SCHEMBL29303373 0.80 CD274 (0.47) TAAR1HTR2A
SCHEMBL29303390 0.80 AOC1 (0.33) TAAR1
SCHEMBL29303383 0.78 KDM1A (0.35) KDM1AKDM1B
SCHEMBL857045 0.78 TAAR1 (0.42) TAAR1HTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
EP-4729519-A1 CRYSTAL FORM OF ENPP1 INHIBITOR CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2026-04-22 EP disclosed
EP-4034094-B1 PHOSPHODIESTERASE INHIBITORS AND USE ZENSHINE PHARMACEUTICALS NANJING GROUP CO LTD (CN) 2026-04-15 EP disclosed
US-20250206763-A1 ENPP1 INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-06-26 US disclosed
CN-115151253-B Phosphodiesterase inhibitors and uses 南京征祥医药有限公司 2025-04-15 CN disclosed
US-20250115609-A1 AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-04-10 US disclosed
CN-119497716-A Crystal form of ENPP1 inhibitor 石药集团中奇制药技术(石家庄)有限公司 2025-02-21 CN disclosed
WO-2024255837-A1 CRYSTAL FORM OF ENPP1 INHIBITOR 石药集团中奇制药技术(石家庄)有限公司 2024-12-19 WO disclosed
EP-4450503-A1 AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF Innovstone Therapeutics Limited (CN) 2024-10-23 EP disclosed
CN-118488950-A ENPP1 inhibitors 上海齐鲁制药研究中心有限公司 2024-08-13 CN disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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 (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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 TAAR1 257/4885DGAT1 2050/4885KDM1A 4126/4885
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 TAAR1 3729/4885DGAT1 3978/4885KDM1A 356/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 TAAR1 60/4885DGAT1 1142/4885KDM1A 1149/4885
US-20250206763-A1 ENPP1 INHIBITOR ENPP1, PPP1R1B, ENPP3 TAAR1 4531/4885DGAT1 720/4885KDM1A 3536/4885
US-20250115609-A1 AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF ENPP1, WEE1, ENPP2 TAAR1 4497/4885DGAT1 1315/4885KDM1A 2602/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 TAAR1 2713/4885DGAT1 1037/4885KDM1A 1432/4885

“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.