SCHEMBL1038536

SCHEMBL1038536

CCNCc1cccc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
CXCR4 P61073 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR4 P51679 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL943003 0.90 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL1039500 0.87 CXCR4 (0.50) SMN1; SMN2CXCR4NPSR1CCR4PDCD1LG2
SCHEMBL22564633 0.85 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL9777407 0.84 SMN1; SMN2 (0.68) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL4550251 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL9777453 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL21986550 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KDM1AMAOAMAOBCXCR4
SCHEMBL25376464 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KDM1AMAOAMAOBMEN1
SCHEMBL10483914 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL2258317 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM1AMAOAMAOBNPSR1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341893-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-09-10 EP claimed
WO-2002048307-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-06-20 WO claimed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
CN-101460453-B Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD 2012-10-03 CN disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR SMN1; SMN2 2677/4885KDM1A 4723/4885MAOA 2926/4885
US-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR SMN1; SMN2 1796/4885KDM1A 890/4885MAOA 291/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 SMN1; SMN2 3319/4885KDM1A 4385/4885MAOA 2686/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 SMN1; SMN2 3678/4885KDM1A 3392/4885MAOA 1687/4885
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 SMN1; SMN2 1760/4885KDM1A 1269/4885MAOA 1062/4885

“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.