SCHEMBL5654809

SCHEMBL5654809

CCCCCC#Cc1c[c]cnc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KCNH2 Q12809 1/20 0.37
MAPT P10636 2/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 2/20 0.36
GRM5 P41594 1/20 0.35
CHRNA3 P32297 1/20 0.34

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
SCHEMBL4913030 0.95 CHRNB2 (0.38) MAPTCHRNB2CHRNA4GRM5CHRNA3
SCHEMBL5658092 0.88 CYP2D6 (0.37) CHRNB2CHRNA4GRM5
SCHEMBL5393293 0.81 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL1934205 0.78 KCNH2 (0.42) FFAR1FFAR4KCNH2MAPTMMP2
SCHEMBL15544407 0.76 KCNH2 (0.45) FFAR1FFAR4KCNH2MAPTMMP2
SCHEMBL3728065 0.73 CYP2A6 (0.54) CHRNB2CHRNA4GRM5
SCHEMBL3064618 0.72 CHRNB2 (0.67) KCNH2MMP2MMP12CHRNB2CHRNA4
SCHEMBL3930779 0.72 GRM5 (0.42) MAPTCHRNB2CHRNA4GRM5CHRNA3
SCHEMBL28089 0.71
SCHEMBL8122306 0.71 KCNH2 (0.47) FFAR1FFAR4KCNH2MAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US claimed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US 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 FFAR1 162/4885FFAR4 241/4885KCNH2 1338/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 FFAR1 195/4885FFAR4 293/4885KCNH2 1311/4885

“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.