SCHEMBL7589137

SCHEMBL7589137

Cn1nccc1[C@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.36

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
SCHEMBL2788882 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL7590836 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL17865259 0.87 CYP3A4 (0.42) KDM4ESMN1; SMN2CYP19A1LMNA
SCHEMBL4908140 0.85 CYP3A4 (0.42) KDM4ESMN1; SMN2ALDH1A1CYP19A1LMNA
SCHEMBL17847834 0.85 CYP17A1 (0.44) KDM4ESMN1; SMN2ALDH1A1CYP19A1LMNA
SCHEMBL4899497 0.84 HTT (0.45) SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL31040269 0.84 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL6920072 0.84 MAPK1 (0.45) KDM4ESMN1; SMN2CYP19A1LMNA
SCHEMBL4910814 0.82 MAPK1 (0.42) ALDH1A1HTTPOLB
SCHEMBL4910223 0.81 ALDH1A1 (0.50) ALDH1A1CYP19A1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029852-B1 PROCESS FOR OBTAINING ENANTIOMERS OF CIS-OLIRTINE ESTEVE LABOR DR (ES) 2002-11-06 EP claimed
EP-0808308-B1 METHOD FOR SEPARATING CARBINOLS ESTEVE LABOR DR (ES) 2001-03-07 EP claimed
US-6118009-A Process for obtaining enantiomers of cis-olirtine LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-09-12 US claimed
EP-1029852-A1 PROCESS FOR OBTAINING ENANTIOMERS OF CIS-OLIRTINE LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-08-23 EP claimed
US-5849931-A Process for separating carbinols LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1998-12-15 US claimed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-11 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
WO-2016096127-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO disclosed
EP-1029852-B1 PROCESS FOR OBTAINING ENANTIOMERS OF CIS-OLIRTINE ESTEVE LABOR DR (ES) 2002-11-06 EP disclosed
EP-0808308-B1 METHOD FOR SEPARATING CARBINOLS ESTEVE LABOR DR (ES) 2001-03-07 EP disclosed
US-6118009-A Process for obtaining enantiomers of cis-olirtine LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-09-12 US disclosed
EP-1029852-A1 PROCESS FOR OBTAINING ENANTIOMERS OF CIS-OLIRTINE LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-08-23 EP disclosed
US-5849931-A Process for separating carbinols LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1998-12-15 US disclosed
EP-0808308-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP disclosed
WO-1997020817-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-12 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-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 KDM4E 2351/4885SMN1; SMN2 1246/4885ALDH1A1 1431/4885
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain OPRM1, OPRD1, OPRK1 KDM4E 2431/4885SMN1; SMN2 1262/4885ALDH1A1 1556/4885

“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.