SCHEMBL2562597

SCHEMBL2562597

CC1(C)OB(c2ccc(CBr)c(F)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.52
LIPG Q9Y5X9 14/20 0.47
LPL P06858 13/20 0.47
F11 P03951 1/20 0.38
EGFR P00533 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ESR2 Q92731 1/20 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
SCHEMBL31643226 1.00 ROCK1 (0.52) ROCK1LIPGLPLF11EGFR
SCHEMBL28052007 0.88 ROCK1 (0.50) ROCK1LIPGLPLF11EGFR
SCHEMBL15465471 0.87 LIPG (0.47) ROCK1LIPGLPLF11EGFR
SCHEMBL18643675 0.85 ROCK1 (0.56) ROCK1LIPGLPLF11EGFR
SCHEMBL22664432 0.84 ROCK1 (0.50) ROCK1LIPGLPLF11EGFR
SCHEMBL3321140 0.84 ROCK1 (0.55) ROCK1LIPGLPLF11EGFR
SCHEMBL17430653 0.84 ROCK1 (0.52) ROCK1LIPGLPLF11EGFR
SCHEMBL793337 0.83 LIPG (0.57) ROCK1LIPGLPLF11EGFR
SCHEMBL3233480 0.82 LPL (0.44) ROCK1LIPGLPLF11CA1
SCHEMBL20665867 0.81 ROCK1 (0.50) ROCK1LIPGLPLF11EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
CN-115960094-A Preparation and application of aromatic ring substituted methylamine derivative 上海璎黎药业有限公司 2023-04-14 CN disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-11401272-B2 Heterocyclic compounds as LSD1 inhibitors INCYTE CORPORATION (US) 2022-08-02 US disclosed
CN-107660205-B Heterocyclic compounds as LSD1 inhibitors 因赛特公司 2021-08-27 CN disclosed
US-20200392143-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS INCYTE CORPORATION 2020-12-17 US disclosed
US-10800779-B2 Heterocyclic compounds as LSD1 inhibitors INCYTE CORPORATION (US) 2020-10-13 US disclosed
US-10640503-B2 Imidazopyridines and imidazopyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-9012445-B2 Substituted 4-(1H-pyrazol-4-yl)benzyl analogues as positive allosteric modulators of mAChR M1 receptors VANDERBILT UNIVERSITY (US) 2015-04-21 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
WO-2013106795-A1 SUBSTITUTED 4-(1H~PYRAZOL-4.YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-18 WO disclosed
WO-2013106795-A1 SUBSTITUTED 4-(1H~PYRAZOL-4.YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-18 WO disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (9 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-11401272-B2 Heterocyclic compounds as LSD1 inhibitors KDM1B, KDM1A, DOT1L ROCK1 1257/4885LIPG 1842/4885LPL 3226/4885
US-20200392143-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS KDM1B, KDM1A, DOT1L ROCK1 1257/4885LIPG 1842/4885LPL 3226/4885
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS CHRM1, CHRM4, CHRM5 ROCK1 662/4885LIPG 4617/4885LPL 3555/4885
US-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 ROCK1 1523/4885LIPG 2418/4885LPL 3432/4885
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 ROCK1 3525/4885LIPG 3497/4885LPL 4071/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 ROCK1 1523/4885LIPG 2418/4885LPL 3432/4885
US-10800779-B2 Heterocyclic compounds as LSD1 inhibitors KDM1B, KDM1A, DOT1L ROCK1 1257/4885LIPG 1842/4885LPL 3226/4885
US-10640503-B2 Imidazopyridines and imidazopyrazines as LSD1 inhibitors KDM5A, KDM1A, KDM1B ROCK1 832/4885LIPG 4054/4885LPL 4359/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 ROCK1 1523/4885LIPG 2418/4885LPL 3432/4885

“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.