SCHEMBL4309077

SCHEMBL4309077

c1cn(CC2CCNCC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
BRD4 O60885 1/20 0.35
CYP19A1 P11511 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GBA1 P04062 3/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
PIM1 P11309 1/20 0.31
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRA1A P35348 1/20 0.30
CYP2B6 P20813 1/20 0.30

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
SCHEMBL17108208 0.89 HRH4 (0.35) MAOACYP19A1HRH3HRH4PIM1
Hydrochloric Acid SCHEMBL17048491 0.88 HRH4 (0.34) MAOACYP19A1HRH3HRH4
SCHEMBL2877085 0.82 CYP2B6 (0.44) CYP19A1HRH4CYP2B6
SCHEMBL27989235 0.82 CYP2B6 (0.40) CYP19A1HRH4CYP2B6
SCHEMBL8542846 0.82 PIM1 (0.38) MAOABRD4CYP19A1HRH3PIM1
SCHEMBL18325457 0.81 CYP2B6 (0.47) CYP19A1HRH3HRH4CYP2B6
SCHEMBL18325220 0.81 CYP2B6 (0.47) CYP19A1HRH3HRH4CYP2B6
SCHEMBL30165007 0.81 CYP19A1 (0.36) MAOACYP19A1
SCHEMBL21359356 0.80 HRH3 (0.38) HRH3HRH4BRAFMAPK3MAPK1
SCHEMBL15958943 0.76 CYP2B6 (0.36) CYP19A1CYP2B6

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-0160620-B1 METAL DEACTIVATORS CIBA-GEIGY AG (CH) 1989-09-13 EP claimed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
EP-0160620-B1 METAL DEACTIVATORS CIBA-GEIGY AG (CH) 1989-09-13 EP 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 MAOA 344/4885BRD4 721/4885CYP19A1 434/4885

“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.