SCHEMBL590652

SCHEMBL590652

O=C(NCCc1ccccc1)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
P2RX4 Q99571 2/20 0.49
NPC1 O15118 2/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL5859633 0.92 NAMPT (0.53) RAB9ASMN1; SMN2NPC1KMT2ACYP2D6
SCHEMBL23455649 0.85 SMN1; SMN2 (0.54) SMN1; SMN2P2RX4ROCK2ROCK1ALDH1A1
SCHEMBL3225482 0.82 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL589083 0.79 FAAH (0.54) BCHEMAPTCA2
SCHEMBL17261568 0.79 HSD17B10 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27452693 0.79 CNR1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7372573 0.78 MTNR1A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17112312 0.78 ALDH1A1 (0.39) SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4370842 0.78 OPRK1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL1260766 0.77 TBXAS1 (0.50) NPC1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228575-A1 Process for the Preparation of Solifenacin and Salts Thereof ISOCHEM (FR) 2014-08-14 US disclosed
EP-2723734-A1 PROCESS FOR THE PREPARATION OF SOLIFENACIN AND SALTS THEREOF Isochem (FR) 2014-04-30 EP disclosed
WO-2012175119-A1 PROCESS FOR THE PREPARATION OF SOLIFENACIN AND SALTS THEREOF ISOCHEM (FR) 2012-12-27 WO disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 RAB9A 2373/4885SMN1; SMN2 3129/4885P2RX4 64/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL RAB9A 2926/4885SMN1; SMN2 4233/4885P2RX4 4305/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL RAB9A 3386/4885SMN1; SMN2 4133/4885P2RX4 4265/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 RAB9A 2513/4885SMN1; SMN2 3845/4885P2RX4 109/4885
US-20140228575-A1 Process for the Preparation of Solifenacin and Salts Thereof NEU3, NEU4, ADRB3 RAB9A 2190/4885SMN1; SMN2 2539/4885P2RX4 1530/4885

“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.