SCHEMBL3468418

SCHEMBL3468418

CC(C)(C)C1CCC(C(=O)O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 8/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP2C9 P11712 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 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
SCHEMBL3468419 1.00 CYP2C19 (0.42) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL3462868 1.00 CYP2C19 (0.42) CYP2C19CYP2D6LMNABLMALOX15
Hydrochloric Acid SCHEMBL17423104 0.98 CYP2C19 (0.41) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL3394263 0.83 CYP2C19 (0.39) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL23421119 0.75 CYP2C19 (0.71) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL13973941 0.75 CYP2C19 (0.71) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL16620358 0.75 CYP2C19 (0.71) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL2805632 0.75 CYP2C19 (0.71) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL4707192 0.75 CYP2C19 (0.71) CYP2C19CYP2D6LMNABLMALOX15
SCHEMBL12479952 0.75 CYP2D6 (0.32) CYP2C19CYP2D6LMNABLMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 — — US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 — — US disclosed
US-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2015-02-19 — — US disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 — — US disclosed
EP-2771021-A2 NMDA RECEPTOR MODULATORS AND USES THEREOF North Western University (US) 2014-09-03 — — EP disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 — — US disclosed
WO-2013063120-A2 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2013-05-02 — — WO disclosed
WO-2010113035-A2 PEPTIDE-BASED BETA TURN MIMETICS UNIVERSITY OF MANITOBA (CA) 2010-10-07 — — WO disclosed
US-20100256333-A1 Peptide-Based Beta Turn Mimetics UNIVERSITY OF MANITOBA (CA) 2010-10-07 — — US disclosed
EP-1898940-A1 INHIBITORS OF THE ALPHA2BETA 1/GPIA-IIA INTEGRIN The Trustees of The University of Pennsylvania (US) 2008-03-19 — — EP disclosed
WO-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 — — WO disclosed
EP-1123919-A1 PROCESS FOR PRODUCING PEPTIDYL ALDEHYDES Senju Pharmaceutical Co., Ltd. (JP) 2001-08-16 — — EP 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-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CYP2C19 3321/4885CYP2D6 1484/4885LMNA 4844/4885
US-20100256333-A1 Peptide-Based Beta Turn Mimetics VIP, PTMA, PREP CYP2C19 4610/4885CYP2D6 4645/4885LMNA 747/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CYP2C19 305/4885CYP2D6 942/4885LMNA 2275/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 CYP2C19 1980/4885CYP2D6 1008/4885LMNA 1258/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 CYP2C19 1980/4885CYP2D6 1008/4885LMNA 1258/4885

“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