SCHEMBL89509

SCHEMBL89509

CC(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 2/20 0.40
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL21853168 0.88 USP2 (0.44) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL13011437 0.87 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL89520 0.86 PKM (0.47) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL398929 0.83 PKLR (0.42) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL965651 0.83 USP2 (0.51) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL7303096 0.83 USP2 (0.47) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL4278207 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL14155541 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL20423343 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL607839 0.82 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US disclosed
EP-2697219-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS Bioprojet (FR) 2014-02-19 EP disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 US disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 US disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 US disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C USP2 4672/4885SMN1; SMN2 1179/4885TSHR 1798/4885
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 USP2 2060/4885SMN1; SMN2 4336/4885TSHR 4176/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 USP2 3964/4885SMN1; SMN2 1867/4885TSHR 1095/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 USP2 3658/4885SMN1; SMN2 2387/4885TSHR 802/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 USP2 4146/4885SMN1; SMN2 3471/4885TSHR 1031/4885

“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.