SCHEMBL6747654

SCHEMBL6747654

CC1(C)CC(=O)N2CCCc3cc(CCCl)cc1c32

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
TTR P02766 1/20 0.41
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
AR P10275 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
SCHEMBL6276632 0.93 CYP11B1 (0.37) NPC1TTRKMT2A
SCHEMBL6748112 0.79 NPC1 (0.51) NPC1TTRKMT2A
SCHEMBL6743887 0.79 NPC1 (0.66) NPC1TTRKMT2A
SCHEMBL6746228 0.72 MAP2K1 (0.53) KMT2A
SCHEMBL6746195 0.71 HTR1A (0.50)
SCHEMBL6748805 0.71 NPC1 (0.55) NPC1TTRMAPTLMNA
SCHEMBL1762389 0.70 MAP2K1 (0.35) KMT2A
SCHEMBL6452066 0.65 HDAC1 (0.43) KMT2A
SCHEMBL6746387 0.64 MAP2K1 (0.56) KMT2A
SCHEMBL1762381 0.61 CYP11B2 (0.67)

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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 NPC1 2509/4885TTR 4604/4885KMT2A 480/4885

“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.