SCHEMBL3318099

SCHEMBL3318099

CC(C)N1CCC[C@@H](CNC=O)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
KCNH2 Q12809 6/20 0.37
CCR2 P41597 1/20 0.37
CYP2D6 P10635 7/20 0.33
GHSR Q92847 8/20 0.33
KAT2B Q92831 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3317295 1.00 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3316370 1.00 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20807878 0.90 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12095082 0.90 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24535944 0.80 KCNH2 (0.38) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL24510986 0.80 ADH1B (0.57) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3924693 0.80 ADH1B (0.57) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17827393 0.80 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL3317300 0.80 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL3316366 0.80 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ADH1B 1255/4885ADH1C 2915/4885ADH1A 1695/4885

“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.