SCHEMBL6635846

SCHEMBL6635846

CN1CC(CO)C(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.40
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
BRD4 O60885 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9052252 1.00 GBA1 (0.40) GBA1GAAMGAMBRD4TDP1
Hydrochloric Acid SCHEMBL15463590 0.97 GBA1 (0.39) GBA1GAAMGAMBRD4
Hydrochloric Acid SCHEMBL15463591 0.97 GBA1 (0.39) GBA1GAAMGAMBRD4
SCHEMBL24043063 0.89 GBA1 (0.39) GBA1GAAMGAMBRD4
SCHEMBL13116329 0.87 GBA1 (0.34) GBA1GAAMGAM
SCHEMBL18975425 0.86 GBA1 (0.50) GBA1GAAMGAM
SCHEMBL19087104 0.84
SCHEMBL7022461 0.84
SCHEMBL7403991 0.84
SCHEMBL7020593 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-04 US disclosed
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-04 US disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
EP-0731090-B1 Process for the production of 3,(4)-substituted pyrrolidines BAYER MATERIALSCIENCE AG (DE) 2004-05-06 EP disclosed
EP-0499873-B1 Use of 3,(4)-substituted pyrrozidines as catalysts in the polyisocyanate-polyaddition process and a process for the preparation of polyurethanes and polyureas BAYER AG (DE) 2000-11-22 EP disclosed
EP-0731090-A2 Process for the production of 3,(4)-substituted pyrrolidines BAYER AG (DE) 1996-09-11 EP disclosed
WO-1996007656-A1 CIS-HEXAHYDRO-5-(2-NAPHTHALENYL)PYRROLO<3,4-c>PYRROLES ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
US-5457121-A Cis-hexahydro-5-(1,2,3,4-tetrahydro-2-naphthalenyl)pyrrolo<3,4-c>pyrroles as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5274114-A Preparation and use of 3, (4)-substituted pyrrolidines as catalysts for the polyisocyanate polyaddition process BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0499873-A2 Use of 3,(4)-substituted pyrrozidines as catalysts in the polyisocyanate-polyaddition process, process for their preparation and a process for the preparation of polyurethanes and polyureas BAYER AG (DE) 1992-08-26 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 (2 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 GBA1 3542/4885GAA 2728/4885MGAM 4674/4885
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B GBA1 738/4885GAA 85/4885MGAM 155/4885

“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.