SCHEMBL5801737

SCHEMBL5801737

Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.71
HTR2B P41595 3/20 0.67
HTR2C P28335 2/20 0.67
S1PR1 P21453 1/20 0.66
OPRD1 P41143 1/20 0.66
MAPT P10636 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
HCRTR1 O43613 2/20 0.64
HCRTR2 O43614 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
DRD2 P14416 1/20 0.64
DRD1 P21728 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL6586520 0.88 IGF1R (0.79) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL6591375 0.88 S1PR1 (0.63) IGF1RHTR2BHTR2CS1PR1OPRD1
SCHEMBL6588598 0.87 IGF1R (0.77) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL5802430 0.87 IGF1R (0.76) IGF1RHTR2BHTR2CS1PR1OPRD1
SCHEMBL4855474 0.85 HTT (0.75) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL4902799 0.85 IGF1R (0.64) IGF1RHTR2BHTR2CS1PR1OPRD1
SCHEMBL6588862 0.85 IGF1R (0.77) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL7694541 0.83 IGF1R (0.71) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL6586190 0.83 IGF1R (1.00) IGF1RS1PR1OPRD1MAPTMEN1
SCHEMBL6587428 0.82 IGF1R (0.70) IGF1RS1PR1OPRD1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US claimed
US-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-08-10 US disclosed
WO-2006081522-A2 MODULATION OF NMDA RECEPTOR CURRENTS VIA OREXIN RECEPTOR AND/OR CRF RECEPTOR THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) 2006-08-03 WO disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 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 (1 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-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor HCRTR2, HCRTR1, GRIN2B IGF1R 1428/4885HTR2B 84/4885HTR2C 172/4885

“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.