SCHEMBL5656336

SCHEMBL5656336

CCCOc1cncc(N2CCN(CC)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
CHRNA7 P36544 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 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
Fumaric Acid SCHEMBL27582808 0.89 MAPT (0.43) CHRNB2CHRNA4KDM4EMEN1ALDH1A1
Fumaric Acid SCHEMBL27582806 0.89 MAPT (0.43) CHRNB2CHRNA4KDM4EMEN1ALDH1A1
SCHEMBL3452634 0.88 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7KDM4EMAPT
SCHEMBL5658769 0.87 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL5656931 0.84 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7KDM4EMAPT
SCHEMBL5656751 0.83 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL6352741 0.82 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL6351330 0.81 CHRNB2 (0.75) CHRNB2CHRNA4
SCHEMBL3453596 0.80 CHRNB2 (0.50) CHRNB2CHRNA4MAPTHPGDTSHR
SCHEMBL25124630 0.79 KDM2B (0.46) CHRNB2CHRNA4CHRNA7KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 12/4885CHRNA7 2/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNA7 2/4885

“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.