SCHEMBL5531973

SCHEMBL5531973

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.50
HTR1B P28222 3/20 0.50
HTR1A P08908 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ROCK1 Q13464 2/20 0.48
NCF1 P14598 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
ROCK2 O75116 1/20 0.45
CCR2 P41597 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5529815 0.90 NCF1 (0.51) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5532963 0.90 NCF1 (0.58) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL8095863 0.88 HTR1D (0.52) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL14437441 0.84 NCF1 (0.51) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5532956 0.84 MCHR1 (0.53) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5532724 0.83 SMN1; SMN2 (0.49) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL4249271 0.83 SMN1; SMN2 (0.49) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5529129 0.83 HTR1D (0.52) HTR1DHTR1BHTR1ASMN1; SMN2NCF1
SCHEMBL13945372 0.83 SMN1; SMN2 (0.52) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5530900 0.83 ROCK1 (0.54) SMN1; SMN2ROCK1ROCK2CCR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HTR1D 1094/4885HTR1B 677/4885HTR1A 721/4885

“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.