SCHEMBL7313448

SCHEMBL7313448

CC(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.46
SLC18A3 Q16572 1/20 0.46
MAPT P10636 3/20 0.46
HCAR3 P49019 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE7A Q13946 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL11677038 1.00 HSP90AA1 (0.47) HSP90AA1HPGDSLC18A3MAPTHCAR3
SCHEMBL27569116 0.88 VCAM1 (0.51) HSP90AA1HPGDSLC18A3MAPTHCAR3
SCHEMBL27953270 0.85 HSP90AA1 (0.44) HSP90AA1HPGDSLC18A3HCAR3ALDH1A1
SCHEMBL3901403 0.85 HPGD (0.65) HPGDMAPTHCAR3ALDH1A1MEN1
SCHEMBL11234314 0.84 HCAR3 (0.48) HSP90AA1HPGDSLC18A3HCAR3ALDH1A1
SCHEMBL11234316 0.84 HCAR3 (0.48) HSP90AA1HPGDSLC18A3HCAR3ALDH1A1
SCHEMBL11436734 0.84 MEN1 (0.46) HPGDSLC18A3MAPTALDH1A1MEN1
SCHEMBL2049760 0.82 HTT (0.56) HPGDSLC18A3MAPTALDH1A1MEN1
SCHEMBL15326534 0.82 KMT2A (0.55) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL12488269 0.81 HPGD (0.59) HPGDMAPTHCAR3ALDH1A1MEN1

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 13 patents. 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
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-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
US-4263457-A CATALYTIC DEHYDROGENATION MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1981-04-21 US disclosed
US-4016214-A Preparation of ethynylbenzenes WILLIAM H. RORER, INC. (US) 1977-04-05 US disclosed
US-3952067-A Ethynylbenzenes WILLIAM H. RORER, INC. (US) 1976-04-20 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 (1 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-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 HSP90AA1 3256/4885HPGD 2576/4885SLC18A3 1801/4885

“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.