Methane

Methane

SCHEMBL364091

C.O=C(O)c1ccc(B(O)O)cn1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 12/20 0.55
P4HA1 P13674 1/20 0.55
MIF P14174 1/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL29948107 0.98 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL3719519 0.98 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL17212397 0.82 ALDH1A1 (0.44) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL10195691 0.82 KMT2A (0.50) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL29951238 0.77 PIK3CD (0.41) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL29586464 0.77 PIP5K1C (0.41) P4HTMKDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL15465986 0.77 PIP5K1C (0.41) P4HTMKDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL29952262 0.77 MAPK1 (0.61) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL364090 0.77 MAPK1 (0.61) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL836314 0.77 PIK3CD (0.41) P4HTMP4HA1MIFKDM4EALDH1A1

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-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
US-9469631-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-18 US disclosed
US-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-13 US disclosed
EP-2892888-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
WO-2014037327-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 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 (2 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-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF GPR18, GPR39, GPR4 P4HTM 437/4885P4HA1 452/4885MIF 2311/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 P4HTM 85/4885P4HA1 17/4885MIF 1560/4885

“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.