SCHEMBL2637536

SCHEMBL2637536

NC1CCN(Cc2ccc3ccccc3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.64
KMT2A Q03164 2/20 0.58
SIGMAR1 Q99720 2/20 0.55
PKM P14618 1/20 0.52
MC4R P32245 1/20 0.52
MC5R P33032 1/20 0.52
MEN1 O00255 1/20 0.52
MCHR1 Q99705 3/20 0.51
CHKA P35790 1/20 0.50
DRD4 P21917 1/20 0.50
POLB P06746 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL4841995 1.00 ACHE (0.64) ACHEKMT2ASIGMAR1PKMMC4R
SCHEMBL4842070 1.00 ACHE (0.64) ACHEKMT2ASIGMAR1PKMMC4R
SCHEMBL4834727 0.91 ACHE (0.72) ACHEKMT2ASIGMAR1PKMMC4R
Hydrochloric Acid SCHEMBL6306233 0.89 ACHE (0.70) ACHEKMT2ASIGMAR1PKMMC4R
SCHEMBL14197720 0.82 ACHE (0.83) ACHEKMT2ASIGMAR1PKMMEN1
SCHEMBL30772041 0.82 ACHE (0.64) ACHEKMT2ASIGMAR1PKMMC4R
SCHEMBL42501 0.80 ACHE (0.58) ACHESIGMAR1DRD4LTA4H
SCHEMBL239922 0.80 ACHE (0.58) ACHESIGMAR1DRD4LTA4H
SCHEMBL330609 0.80 ACHE (0.58) ACHESIGMAR1DRD4LTA4H
SCHEMBL14793661 0.80 ACHE (0.58) ACHESIGMAR1DRD4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 ACHE 3447/4885KMT2A 3833/4885SIGMAR1 2326/4885
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 ACHE 1090/4885KMT2A 4073/4885SIGMAR1 1500/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 ACHE 516/4885KMT2A 1507/4885SIGMAR1 91/4885

“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.