SCHEMBL10130105

SCHEMBL10130105

C[C@H]1CCCC[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.50
PSEN2 P49810 4/20 0.50
APH1B Q8WW43 4/20 0.50
NCSTN Q92542 4/20 0.50
APH1A Q96BI3 4/20 0.50
PSENEN Q9NZ42 4/20 0.50
KCNA5 P22460 1/20 0.47
TACR1 P25103 1/20 0.43
OPRM1 P35372 5/20 0.43
OPRL1 P41146 2/20 0.42
OPRK1 P41145 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
OPRD1 P41143 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL10130102 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13806929 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12899391 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13806911 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14032192 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8481267 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14345941 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL358271 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL358679 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13646399 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-7479491-B2 Azanthranylalkyl and -cycloalkyl amides and their use as VEGF receptor inhibitors NOVARTIS AG (CH) 2009-01-20 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C PSEN1 2002/4885PSEN2 1057/4885APH1B 3764/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 PSEN1 4464/4885PSEN2 4358/4885APH1B 1797/4885
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H PSEN1 2110/4885PSEN2 2205/4885APH1B 1960/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H PSEN1 2110/4885PSEN2 2205/4885APH1B 1960/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 PSEN1 1261/4885PSEN2 665/4885APH1B 3690/4885

“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.