SCHEMBL624234

SCHEMBL624234

FC(F)(F)Oc1cccc([Mg]Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ GPR3 P46089 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KIF11 P52732 2/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ GALR1 P47211 1/20 0.36

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
SCHEMBL31308775 1.00 CETP (0.41) CETPPIM1PIM2GPR3ALDH1A1
SCHEMBL30096837 0.85 CETP (0.31) CETP
SCHEMBL27219501 0.85 CETP (0.31) CETP
SCHEMBL29058645 0.81 CETP (0.41) CETPPIM1PIM2GPR3KIF11
SCHEMBL3147185 0.79 GPR3 (0.50) CETPPIM1PIM2GPR3KIF11
SCHEMBL513339 0.75 MAPT (0.42) PIM1PIM2GPR3ALDH1A1MAPT
SCHEMBL3146332 0.75 GPR3 (0.44) CETPPIM1PIM2GPR3ALDH1A1
SCHEMBL24031 0.74 ACHE (0.50) ALDH1A1
SCHEMBL29411044 0.74 ACHE (0.50) ALDH1A1
SCHEMBL29351368 0.74 MAOB (0.46) CETPGPR3ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624004-B2 Opioid receptor agonist, preparation method therefor and pharmaceutical use thereof FUDAN UNIVERSITY (CN) 2026-05-12 — — US disclosed
US-20230027752-A1 OPIOID RECEPTOR AGONIST, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF FUDAN UNIVERSITY (CN) 2023-01-26 — — US disclosed
CN-112759546-B 3- (dimethylaminomethyl) piperidin-4-ol derivatives, their preparation and their pharmaceutical use 复旦大学 2022-08-26 — — CN disclosed
EP-3027593-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2020-06-10 — — EP disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
EP-2938345-B1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING CO (US) 2018-08-22 — — EP disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 — — US disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 — — US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 — — EP disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 — — WO disclosed
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2010-01-07 — — US disclosed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 — — EP disclosed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 — — EP disclosed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 — — WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 — — EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 — — 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 (5 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CETP 3626/4885PIM1 389/4885PIM2 464/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CETP 3626/4885PIM1 389/4885PIM2 464/4885
US-12624004-B2 Opioid receptor agonist, preparation method therefor and pharmaceutical use thereof OPRM1, OPRD1, OPRK1 CETP 1383/4885PIM1 2013/4885PIM2 1911/4885
US-20230027752-A1 OPIOID RECEPTOR AGONIST, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF OPRM1, OPRD1, OPRL1 CETP 1666/4885PIM1 3002/4885PIM2 3251/4885
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES DBH, SLC6A3, GABBR1 CETP 1996/4885PIM1 635/4885PIM2 432/4885

“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.

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