SCHEMBL695811

SCHEMBL695811

[c]1cc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
RPA1 P27694 1/20 0.42
PTGS1 P23219 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7454784 0.84 RAB9A (0.48) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL8691453 0.81 PTGS2 (0.58) PTGS1
SCHEMBL5907301 0.76 DHODH (0.39) NPC1RAB9AALDH1A1LMNAPTGS1
SCHEMBL5331004 0.73 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL3488539 0.73 HTT (0.41) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL7005928 0.73 POLB (0.35) ALDH1A1HTTRPA1SMN1; SMN2KMT2A
SCHEMBL7901032 0.69 ALDH1A1 (0.46) ALDH1A1HTTRPA1SMN1; SMN2MEN1
SCHEMBL885559 0.69 PTGS1 (0.40) ALDH1A1LMNAHTTPTGS1SMN1; SMN2
SCHEMBL1961734 0.69 ALDH1A1 (0.42) NPC1RAB9AALDH1A1HTTRPA1
SCHEMBL1155787 0.67 MDM2 (0.55) NPC1RAB9AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
EP-2592086-A1 TELOMERASE INHIBITORS AND A METHOD FOR THE PREPARATION THEREOF Gosudarstvennoe Uchebno-nauchnoe Uchrezhdenie Khimichesky Fakultet MGU Im. M.V. Lomonosova (RU) 2013-05-15 EP claimed
US-20130109861-A1 TELOMERASE INHIBITORS AND A METHOD FOR THE PREPARATION THEREOF GOSUDARSTVENNOE UCHEBNO-NAUCHNOE UCHREZHDENIE KHIMICHESKIJJ FAKUL'TET MOSKOVSKOGO GOSUDARSTVENNO (RU) 2013-05-02 US claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
JP-6080630-A None JP disclosed
US-4956379-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-11 US disclosed
US-4956379-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-11 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 (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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC NPC1 307/4885RAB9A 1968/4885ALDH1A1 662/4885
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP NPC1 348/4885RAB9A 3523/4885ALDH1A1 779/4885
US-20130109861-A1 TELOMERASE INHIBITORS AND A METHOD FOR THE PREPARATION THEREOF TERT, TERF2, TERF2IP NPC1 3151/4885RAB9A 3737/4885ALDH1A1 817/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC NPC1 307/4885RAB9A 1968/4885ALDH1A1 662/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885ALDH1A1 364/4885

“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.