SCHEMBL5658557

SCHEMBL5658557

CCCCOc1cncc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.65
CHRNA4 P43681 4/20 0.65
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 1/20 0.44
GGPS1 O95749 2/20 0.43
CYP19A1 P11511 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL6602521 0.95 CHRNB2 (0.63) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL4930731 0.91 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL3050102 0.86 CHRNB2 (0.70) CHRNB2CHRNA4
SCHEMBL7237076 0.85 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL30310124 0.82 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL2614843 0.82 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL7098510 0.81 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL7102503 0.81 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL2431234 0.79 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL4311522 0.79 CHRNB2 (0.62) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522674-B Novel compounds, pharmaceutically acceptable salts as vanilloid receptor antagonist and pharmaceutical composition comprising the compounds AMOREPACIFIC CORP 2013-08-21 CN disclosed
CN-101522674-A Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist AMOREPACIFIC CORP (KR) 2009-09-02 CN disclosed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US disclosed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 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 (2 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885NPC1 2276/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885NPC1 2249/4885

“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.