SCHEMBL4420171

SCHEMBL4420171

CC[C]1CC[C@@H]2CC[C@H]1N2C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4411741 0.81 HTR2A (0.31)
SCHEMBL17966147 0.70 KCNH2 (0.36) KCNH2
SCHEMBL22113003 0.70 KCNH2 (0.33) KCNH2
SCHEMBL1096051 0.70 KCNH2 (0.36) KCNH2
SCHEMBL10610010 0.70 KCNH2 (0.36) KCNH2
SCHEMBL19799174 0.70 KCNH2 (0.36) KCNH2
SCHEMBL19799180 0.70 KCNH2 (0.33) KCNH2
SCHEMBL7704785 0.63 CHRM2 (0.36) KCNH2
SCHEMBL7250299 0.62 MAPK1 (0.42) KCNH2
Hydrochloric Acid SCHEMBL9041378 0.62 CHRM2 (0.35) KCNH2

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-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US claimed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 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-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C KCNH2 269/4885

“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.