SCHEMBL8920698

SCHEMBL8920698

Nc1cccc(C2CCCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PARP1 P09874 5/20 0.39
PARP2 Q9UGN5 2/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL8764343 1.00 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL8164565 0.95 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL21207110 0.95 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL13331169 0.95 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL30222413 0.95 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL3308516 0.93 CHRNB2 (0.51) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL14430884 0.85 CHRNB2 (0.48) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Mandelic Acid SCHEMBL7691085 0.82 LMNA (0.42) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL22430824 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL552184 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-5686615-A HYDROGENATION OF A PYRIDINE COMPOUND IN THE PRESENCE OF A METAL CATALYST PFIZER INC (US) 1997-11-11 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-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 MEN1 3082/4885CYP2D6 3350/4885CYP2C19 2587/4885

“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.