SCHEMBL4241634

SCHEMBL4241634

N#Cc1ccccc1CN1CCC(O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CHRM1 P11229 2/20 0.50
TACR1 P25103 2/20 0.47
COMT P21964 1/20 0.46
KCNA3 P22001 1/20 0.46
ACHE P22303 2/20 0.45
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK2 O60674 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
JAK3 P52333 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL20804350 0.85 COMT (0.53) MAPTCHRM1TACR1COMTSMN1; SMN2
SCHEMBL28024574 0.85 COMT (0.53) MAPTCHRM1TACR1COMTSMN1; SMN2
SCHEMBL27816223 0.84 CHRM1 (0.50) CHRM1TACR1
SCHEMBL19568156 0.84 ACHE (0.62) CHRM1TACR1COMTKCNA3ACHE
SCHEMBL2229998 0.82 ALDH1A1 (0.53) MAPTCHRM1TACR1COMTTSHR
SCHEMBL20237949 0.82 CYP19A1 (0.50) MAPTCHRM1TACR1COMTSMN1; SMN2
SCHEMBL17753690 0.81 CHRM1 (0.47) CHRM1TACR1ACHEJAK1TYK2
SCHEMBL519226 0.80 ALDH1A1 (0.56) MAPTCHRM1TACR1COMTLMNA
SCHEMBL2229808 0.80 ALDH1A1 (0.56) MAPTCHRM1TACR1COMTLMNA
SCHEMBL19381835 0.79 ACHE (0.51) MAPTCHRM1TACR1COMTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 MAPT 2142/4885CHRM1 816/4885TACR1 377/4885

“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.