SCHEMBL4276013

SCHEMBL4276013

CCCOc1cccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL4272287 0.90 CYP2D6 (0.44) NPC1RAB9AMAPTGABRPGABRD
SCHEMBL898231 0.89 SOAT1 (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2130269 0.87 SOAT1 (0.47) NPC1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL31151688 0.83
SCHEMBL1692004 0.83
SCHEMBL13139432 0.83 NCF1 (0.38) HPGDSMN1; SMN2MAPK1GABRA1GABRG2
SCHEMBL23975682 0.82 TSHR (0.39) ALDH1A1HSD17B10CTDSP1LMNACYP3A4
Ammonia Solution, Strong SCHEMBL3579080 0.82 GABRG2 (0.41) NPC1RAB9AMAPTMAPK1GABRP
SCHEMBL34469739 0.81 HDAC1 (0.34) CTDSP1
SCHEMBL29415429 0.81 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985456-A Carbodiimidization method BAYER IP GMBH 2013-03-20 CN claimed
EP-1153052-B1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INT BV (NL) 2004-12-29 EP claimed
US-6599977-B1 Process for the preparation of an aqueous dispersion of an anionic polyurethane. According to the invention, a tertiary amine functional urethane polymer or oligomer acts as acid neutralizing agent. The process with dispersion of anionic STAHL INTERNATIONAL B.V. (NL) 2003-07-29 US claimed
EP-1153052-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-11-14 EP claimed
WO-2001027179-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-04-19 WO claimed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
CN-102985456-A Carbodiimidization method BAYER IP GMBH 2013-03-20 CN disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed
EP-1153052-B1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INT BV (NL) 2004-12-29 EP disclosed
US-6599977-B1 Process for the preparation of an aqueous dispersion of an anionic polyurethane. According to the invention, a tertiary amine functional urethane polymer or oligomer acts as acid neutralizing agent. The process with dispersion of anionic STAHL INTERNATIONAL B.V. (NL) 2003-07-29 US disclosed
EP-1153052-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2001027179-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-04-19 WO disclosed
WO-1992001009-A1 COMPOSITION CONTAINING ALKANOLAMINES AND POLYISOCYANATES DSM N.V. (NL) 1992-01-23 WO disclosed
US-4382852-A POLYALKOXYDIAMINES REACTED WITH EPIHALOHYDRINS TEXACO CANADA RESOURCES, INC. (CA) 1983-05-10 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-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E NPC1 903/4885HPGD 1333/4885RAB9A 1114/4885

“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.