SCHEMBL415499

SCHEMBL415499

CCCC1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.42
KMT2A Q03164 10/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL7443750 0.92 CYP4F2 (0.45) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL15353132 0.92 CYP4F2 (0.48) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL15353043 0.92 CYP4F2 (0.48) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL6187331 0.90 CYP4F2 (0.46) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL6186611 0.89 MEN1 (0.41) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL1440150 0.89 MEN1 (0.41) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL963907 0.89 USP2 (0.47) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL336548 0.88 MAPK1 (0.54) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL2795230 0.88 CYP4F2 (0.53) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1
SCHEMBL7309006 0.87 USP2 (0.43) MEN1KMT2AUSP2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP 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
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-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
US-8513425-B2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-08-20 US disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
EP-2102157-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 (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-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR MEN1 1757/4885KMT2A 1195/4885USP2 4238/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C MEN1 4004/4885KMT2A 2308/4885USP2 3821/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 MEN1 1780/4885KMT2A 2768/4885USP2 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.