SCHEMBL398929

SCHEMBL398929

CCOC(=O)C1(CC(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.42
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL394272 0.87 MAPK1 (0.40) TSHRUSP2SMN1; SMN2ALOX15CYP4F2
SCHEMBL89520 0.86 PKM (0.47) TSHRUSP2SMN1; SMN2ALOX15CYP4F2
SCHEMBL963907 0.86 USP2 (0.47) TSHRUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL20502774 0.85 L3MBTL1 (0.44) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL7309006 0.85 USP2 (0.43) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL606159 0.84 USP2 (0.42) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL20565162 0.84 USP2 (0.42) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL415499 0.84 MEN1 (0.42) USP2SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL390461 0.84 USP2 (0.42) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL6188518 0.84 USP2 (0.42) TSHRUSP2SMN1; SMN2ALOX15CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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 (3 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A PKLR 389/4885TSHR 568/4885USP2 4583/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 PKLR 705/4885TSHR 895/4885USP2 4275/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 PKLR 803/4885TSHR 802/4885USP2 3658/4885

“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.