SCHEMBL17984960

SCHEMBL17984960

N#CCNCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.56
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SCN8A Q9UQD0 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ ALOX15 P16050 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL7295472 0.82 CHRM2 (0.62) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL230222 0.82 CHRM2 (0.70) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL29438821 0.82 CHRM2 (0.70) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL28932276 0.81 CHRM2 (0.56) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL1496459 0.81 SMN1; SMN2 (0.58) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL25211342 0.80 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL18493706 0.80 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
Zinc Ion SCHEMBL30442739 0.80 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL317984 0.80 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
Zinc Ion SCHEMBL30205248 0.80 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 — — EP disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
CN-101652354-B Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG 2014-06-18 — — CN disclosed
CN-101652354-A insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG DE 2010-02-17 — — CN 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885MAOA 1678/4885MAOB 1515/4885

“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.

Send feedback