SCHEMBL3511935

SCHEMBL3511935

Cc1csc(N2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
AR P10275 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP4 P27487 1/20 0.49
MEN1 O00255 3/20 0.48
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
OGA O60502 2/20 0.45
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
PIK3CG P48736 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL4469579 0.98 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL4472290 0.96 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL3551633 0.86 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL9794796 0.86 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL9794803 0.84 BAZ2A (0.48) L3MBTL1SMN1; SMN2DPP4MEN1HRH3
SCHEMBL1713003 0.84 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL9794819 0.84 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ARTP53ALOX15
SCHEMBL6929063 0.84 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2DPP4MEN1RAB9A
SCHEMBL4463690 0.82 LMNA (0.68) SMN1; SMN2ARMEN1RAB9ALMNA
SCHEMBL2228747 0.82 BAZ2A (0.49) L3MBTL1SMN1; SMN2DPP4MEN1LMNA

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
EP-3076959-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-07-04 EP disclosed
US-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-09-29 US disclosed
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 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 (4 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-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R L3MBTL1 4316/4885SMN1; SMN2 4738/4885AR 811/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 L3MBTL1 2988/4885SMN1; SMN2 2187/4885AR 3629/4885
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ACKR3, CCR7, CCR2 L3MBTL1 4872/4885SMN1; SMN2 4441/4885AR 2232/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC L3MBTL1 1985/4885SMN1; SMN2 3837/4885AR 804/4885

“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.