SCHEMBL4859974

SCHEMBL4859974

COc1ccccc1CCNCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.77
KDM4E B2RXH2 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 1/20 0.69
NPY1R P25929 1/20 0.69
HTT P42858 1/20 0.69
NPY2R P49146 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MPO P05164 2/20 0.68
HTR2A P28223 3/20 0.65
ALDH1A1 P00352 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HTR2C P28335 2/20 0.57
HRH1 P35367 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
HTR6 P50406 1/20 0.57
GRIN1 Q05586 3/20 0.57
GRIN2A Q12879 3/20 0.57

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
SCHEMBL27593092 0.90 MPO (0.69) BCHEMPOGRIN1GRIN2ACHRM2
SCHEMBL29779653 0.90 MPO (0.69) BCHEMPOGRIN1GRIN2ACHRM2
SCHEMBL9079771 0.88 BCHE (0.74) BCHEKDM4EKMT2ALMNANPY1R
SCHEMBL7917106 0.88 BCHE (0.62) BCHEKDM4EKMT2ALMNANPY1R
SCHEMBL11571903 0.88 BCHE (0.66) BCHEKDM4EKMT2ALMNANPY1R
SCHEMBL21243265 0.86 MPO (0.70) BCHEKMT2ASMN1; SMN2MPOTAAR1
SCHEMBL5947412 0.85 KDM4E (0.79) BCHEKDM4EKMT2ALMNANPY1R
SCHEMBL8883322 0.84 KDM4E (0.70) BCHEKDM4EKMT2AALDH1A1GRIN1
SCHEMBL3455690 0.84 BCHE (0.70) BCHEKDM4EKMT2ALMNANPY1R
SCHEMBL2290857 0.83 BCHE (0.60) BCHEKDM4EKMT2ALMNANPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BCHE 23/4885KDM4E 3792/4885KMT2A 2316/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BCHE 23/4885KDM4E 3792/4885KMT2A 2316/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE BCHE 4/4885KDM4E 3707/4885KMT2A 1894/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 BCHE 3649/4885KDM4E 3035/4885KMT2A 3454/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR BCHE 2976/4885KDM4E 4639/4885KMT2A 2496/4885

“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.