SCHEMBL5527422

SCHEMBL5527422

Cc1cc(N2CCN(CCc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.77
CYP2C9 P11712 3/20 0.76
HTR1A P08908 8/20 0.64
HTR1D P28221 8/20 0.64
HTR1B P28222 8/20 0.64
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
DRD2 P14416 5/20 0.58
HTR7 P34969 5/20 0.58
DRD3 P35462 5/20 0.58
KCNH2 Q12809 4/20 0.58
HTR6 P50406 1/20 0.58
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTR2A P28223 4/20 0.56
HTR2C P28335 4/20 0.56

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
SCHEMBL8229816 0.84 NCF1 (0.76) NCF1CYP2C9ADRB2ADRB1USP2
SCHEMBL13438227 0.84 HRH3 (0.59) NCF1CYP2C9KCNH2
SCHEMBL6125246 0.82 NCF1 (0.75) NCF1ADRB2ADRB1USP2LMNA
SCHEMBL13438233 0.82 NCF1 (0.56) NCF1CYP2C9HTR1AHTR1DHTR1B
SCHEMBL13438228 0.82 NCF1 (0.56) NCF1CYP2C9HTR1AHTR1DHTR1B
SCHEMBL5065450 0.81 NCF1 (0.88) NCF1ADRB2ADRB1USP2LMNA
SCHEMBL30511704 0.79 NCF1 (0.97) NCF1ADRB2ADRB1USP2LMNA
SCHEMBL2878229 0.78 HTR1A (1.00) CYP2C9HTR1AHTR1DHTR1BDRD2
SCHEMBL2880901 0.78 CYP2C9 (0.79) CYP2C9HTR1AHTR1DHTR1BDRD2
SCHEMBL2884757 0.78 CYP2C9 (0.79) CYP2C9HTR1AHTR1DHTR1BDRD2

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 NCF1 2805/4885CYP2C9 4543/4885HTR1A 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.