SCHEMBL23719656

SCHEMBL23719656

CN1CC[C@@H]2CCNCC21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
CHRNB2 P17787 9/20 0.35
CHRNB4 P30926 9/20 0.35
CHRNA3 P32297 9/20 0.35
CHRNA4 P43681 9/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
RAD52 P43351 1/20 0.33

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
SCHEMBL24672102 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL21581542 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL20758573 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL29869645 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL10259483 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNB4
Ammonia Solution, Strong SCHEMBL23644743 0.98 GNAI3 (0.36) GNAI3GNAO1GNAI1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL21580889 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL23700609 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL23700611 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL11968900 0.89 GNAI3 (0.36) GNAI3GNAO1GNAI1CHRNB2CHRNB4

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-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-08-05 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-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION O60361, ARG1, QDPR GNAI3 1018/4885GNAO1 761/4885GNAI1 459/4885

“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.