SCHEMBL16737085

SCHEMBL16737085

C[N+](C)(CCCN)c1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ F12 P00748 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ HTR1B P28222 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ PLG P00747 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL10578911 0.68 HTR1B (0.57) PLAUCYP2A6F12NCF1NOS3
SCHEMBL10398014 0.68 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3851423 0.68 F12 (0.66) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2792111 0.68 PLAU (0.55) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30307857 0.68 PLAU (0.55) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL5214220 0.66 PLAU (0.53) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2344467 0.66 TLR8 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2307025 0.65 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL3723431 0.64 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1445714 0.63 ACHE (0.41) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148502-A1 NON-CYCLOPENTADIENYL-BASED CHROMIUM CATALYSTS FOR OLEFIN POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-28 — — US claimed

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-20150148502-A1 NON-CYCLOPENTADIENYL-BASED CHROMIUM CATALYSTS FOR OLEFIN POLYMERIZATION CRKL, HCK, CCRL2 PLAU 4267/4885CYP2A6 901/4885F12 2126/4885

“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