SCHEMBL3980087

SCHEMBL3980087

NCCc1c(F)cc(Br)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.60
HTR2A P28223 1/20 0.41
HTR1D P28221 1/20 0.35
MEN1 O00255 2/20 0.34
RAD52 P43351 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAPDH P04406 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AGO2 Q9UKV8 1/20 0.33
GPR17 Q13304 1/20 0.33

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
SCHEMBL856734 0.82 TAAR1 (0.39) TAAR1HTR2ADGAT1GPR17
SCHEMBL20562668 0.80 TAAR1 (0.55) TAAR1HTR2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL21715060 0.80 TAAR1 (0.38) TAAR1HTR2ADGAT1MAPT
SCHEMBL15819455 0.79 TAAR1 (0.65) TAAR1HTR2AHTR1DMEN1RAD52
SCHEMBL8422938 0.78 TAAR1 (0.38) TAAR1KDM4EGPR17
SCHEMBL2144933 0.78 TAAR1 (0.41) TAAR1DGAT1GPR17
SCHEMBL14249510 0.78 TAAR1 (0.39) TAAR1MEN1KMT2ATDP1MAPT
Hydrochloric Acid SCHEMBL29097400 0.77 TAAR1 (0.62) TAAR1HTR1DMEN1RAD52RECQL
SCHEMBL24096195 0.75 TAAR1 (1.00) TAAR1HTR1DMEN1RAD52RECQL
SCHEMBL17468126 0.75 TAAR1 (0.39) TAAR1DGAT1KDM4EGPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 TAAR1 395/4885HTR2A 234/4885HTR1D 198/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TAAR1 375/4885HTR2A 225/4885HTR1D 207/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TAAR1 1932/4885HTR2A 1200/4885HTR1D 216/4885

“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.