SCHEMBL18893405

SCHEMBL18893405

CCC(C)(CC)NCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL31385340 0.85 MAOA (0.55) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL7749926 0.85 MAOA (0.55) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL19214858 0.81 CYP1A2 (0.46) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL18160751 0.81 MEN1 (0.45) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL21790794 0.79 MAOA (0.46) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL16741775 0.77 MAOA (0.47) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL16225118 0.77 MAOA (0.51) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL21192306 0.76 MAOA (0.46) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL18190229 0.76 MAOA (0.46) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1
SCHEMBL18049905 0.76 MAOA (0.53) MAOAMAOBSMN1; SMN2CHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US 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-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 MAOA 2332/4885MAOB 1117/4885SMN1; SMN2 3208/4885

“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.