SCHEMBL5659840

SCHEMBL5659840

[c]1cncc(N2CCCCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
CHRNB2 P17787 10/20 0.36
CHRNA4 P43681 10/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4162890 1.00 CHKA (0.42) CHKACHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL5656747 1.00 CHKA (0.42) CHKACHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL3607639 0.98 CHKA (0.43) CHKACHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL2066752 0.94 CHKA (0.39) CHKACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657082 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3722313 0.81 ADRA2C (0.40) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL3518237 0.81 LMNA (0.42) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL3730742 0.79 CHKA (0.43) CHKAALDH1A1MAPTKDM4EMEN1
SCHEMBL4163945 0.78 MAPT (0.37) CHRNB2CHRNA4MAPTHTTLMNA
SCHEMBL5658207 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
JP-2002543070-A 2002-12-17 JP claimed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US claimed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP claimed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO claimed
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 CHKA 24/4885CHRNB2 7/4885CHRNA4 12/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHKA 25/4885CHRNB2 10/4885CHRNA4 9/4885

“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.