SCHEMBL716893

SCHEMBL716893

CCc1ccc(C2CCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM2 P08172 4/20 0.42
CHRM5 P08912 4/20 0.42
CHRM3 P20309 4/20 0.42
CHRM4 P08173 3/20 0.42
CHRM1 P11229 3/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6178200 1.00 MKNK1 (0.48) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL8611268 0.95 CYP2D6 (0.47) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL22918239 0.86 CHRNB2 (0.41) CHRNB2CHRNA4SMN1; SMN2CYP2A6
SCHEMBL22144664 0.82 S1PR2 (0.51)
SCHEMBL4155153 0.81 MKNK1 (0.44) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL18466133 0.80 CHRNA7 (0.49) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL21806676 0.79 CHRNB2 (0.44) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL1829565 0.79 LTA4H (0.54) CHRNB2CHRNA7CHRNA4L3MBTL1CYP2C19
SCHEMBL7992297 0.79 MKNK1 (0.55) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL6179719 0.79 MKNK1 (0.55) MKNK1CHRNB2CHRNA7CHRNA4L3MBTL1

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
WO-2017197055-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2017197046-A1 C3-CARBON LINKED GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2017188287-A1 SUBSTITUTED PURINE DERIVATIVE 大日本住友製薬株式会社 2017-11-02 WO disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 MKNK1 3737/4885CHRNB2 382/4885CHRNA7 1631/4885

“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.