SCHEMBL3036073

SCHEMBL3036073

CC(=O)N1CCC(CCC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
F2R P25116 2/20 0.42
EPHX2 P34913 4/20 0.40
EPHX1 P07099 2/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Hydrochloric Acid SCHEMBL4513407 0.98 ITGB3 (0.45) ITGB3ITGA2BF2REPHX2EPHX1
SCHEMBL7227535 0.89 ITGB3 (0.55) ITGB3ITGA2BEPHX2EPHX1GNAI3
SCHEMBL7234515 0.87 ITGB3 (0.57) ITGB3ITGA2BEPHX2EPHX1GNAI3
SCHEMBL13804037 0.86 ALDH1A1 (0.42) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL4599331 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL3123567 0.83 TPSAB1 (0.40) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL4505234 0.83 EPHX2 (0.42) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL29223350 0.81 ITGB3 (0.44) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL30684623 0.81 ITGB3 (0.46) ITGB3ITGA2BF2RGNAI3GNAO1
Hydrochloric Acid SCHEMBL5981760 0.80 EPHX2 (0.40) EPHX2EPHX1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319661-B1 PROCESS FOR PRODUCING A TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2006-03-01 EP claimed
US-6881842-B2 Process for producing tricyclic fused heterocyclic derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-19 US claimed
US-20030191150-A1 Process for producing tricyclic fused heterocyclic derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-09 US claimed
EP-1319661-A1 PROCESS FOR PRODUCING TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-06-18 EP claimed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HOWARD HUGHES MEDICAL INSTITUTE 2018-01-18 US disclosed
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2017-08-03 US disclosed
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORP D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2016-12-01 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP disclosed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed
US-5294625-A 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0378207-B1 CYCLIC AMINE COMPOUNDS AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5177087-A Cerebral edema, cholinesterase inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 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 (7 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-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ITGB3 3686/4885ITGA2B 1196/4885F2R 781/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ITGB3 3686/4885ITGA2B 1196/4885F2R 781/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ITGB3 3686/4885ITGA2B 1196/4885F2R 781/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ITGB3 3686/4885ITGA2B 1196/4885F2R 781/4885
US-20030191150-A1 Process for producing tricyclic fused heterocyclic derivative ACHE, BCHE, COASY ITGB3 4747/4885ITGA2B 4588/4885F2R 1821/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 ITGB3 3824/4885ITGA2B 1544/4885F2R 797/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ITGB3 3686/4885ITGA2B 1196/4885F2R 781/4885

“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.