SCHEMBL3074809

SCHEMBL3074809

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](C=O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ RORC P51449 4/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ TACR3 P29371 1/20 0.41

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
SCHEMBL3074806 1.00 MEN1 (0.46) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL18618454 0.87 ALDH1A1 (0.54) PDE4BMMP13GPR119
SCHEMBL18255827 0.85 MEN1 (0.49) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL15141289 0.84 ENPP2 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL14610186 0.84 ENPP2 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL14934468 0.84 ENPP2 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL16109014 0.84 ENPP2 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL15194668 0.83 HDAC1 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL18252871 0.82 TACR1 (0.51) MEN1KMT2AHDAC1HDAC2RORC
SCHEMBL951494 0.82 TACR1 (0.53) MEN1KMT2AHDAC1HDAC2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS THE JOHNS HOPKINS UNIVERSITY 2025-02-06 — — US disclosed
WO-2023102477-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-08 — — WO disclosed
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 — — US disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 — — US disclosed
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 — — US disclosed
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 — — WO disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 — — US disclosed
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 — — US disclosed
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-01-16 — — US disclosed
US-8450492-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
EP-1910322-B1 NOVEL DEUTERATED BENZO [D][1,3]-DIOXOL DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS CONCERT PHARMACEUTICALS INC (US) 2012-09-05 — — EP disclosed
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-09-02 — — US disclosed
US-7678914-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2010-03-16 — — US disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 — — US disclosed
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-07 — — US disclosed
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 — — 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 (12 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 MEN1 4868/4885KMT2A 4009/4885HDAC1 508/4885
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A MEN1 3930/4885KMT2A 4272/4885HDAC1 2638/4885
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 MEN1 1238/4885KMT2A 4096/4885HDAC1 2068/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4868/4885KMT2A 4009/4885HDAC1 508/4885
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 MEN1 1238/4885KMT2A 4096/4885HDAC1 2068/4885
US-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS SLC6A4, HTR6, HTR5A MEN1 997/4885KMT2A 3009/4885HDAC1 2208/4885
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4868/4885KMT2A 4009/4885HDAC1 508/4885
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A MEN1 1670/4885KMT2A 4420/4885HDAC1 2568/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4864/4885KMT2A 4477/4885HDAC1 289/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4866/4885KMT2A 4246/4885HDAC1 488/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A MEN1 1670/4885KMT2A 4420/4885HDAC1 2568/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A MEN1 1670/4885KMT2A 4420/4885HDAC1 2568/4885

“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.

Send feedback