SCHEMBL12916396

SCHEMBL12916396

Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ENPP2 Q13822 6/20 0.44
SIRT6 Q8N6T7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
MGLL Q99685 1/20 0.39
AR P10275 1/20 0.39
SERPINE1 P05121 1/20 0.38

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
SCHEMBL945220 0.94 ENPP2 (0.49) MAPTENPP2SIRT6ALDH1A1HTT
SCHEMBL945218 0.94 ENPP2 (0.49) MAPTENPP2SIRT6ALDH1A1HTT
SCHEMBL12947482 0.94 ENPP2 (0.49) MAPTENPP2SIRT6ALDH1A1HTT
SCHEMBL12916759 0.91 SIRT6 (0.43) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12916254 0.90 MAPT (0.49) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19130959 0.90 MAPT (0.49) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15724802 0.89 SIRT6 (0.42) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15708312 0.89 SIRT6 (0.42) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12916933 0.88 LMNA (0.40) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12042084 0.88 SIRT6 (0.53) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MAPT 1648/4885CYP3A4 272/4885CYP2D6 266/4885

“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.