SCHEMBL6746387

SCHEMBL6746387

CC1(C)CC(=O)N2CCc3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.56
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
CES1 P23141 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL6746228 0.91 MAP2K1 (0.53) MAP2K1MEN1KMT2AALDH1A1HTR2A
SCHEMBL15522685 0.81 HTR2C (0.63) MAP2K1HTR2AHTR2CHTR2B
SCHEMBL15578535 0.78 MAP2K1 (0.44) MAP2K1MEN1KMT2AALDH1A1HTR2A
SCHEMBL1762389 0.76 MAP2K1 (0.35) MAP2K1KMT2AL3MBTL1CYP11B1CYP11B2
SCHEMBL15522825 0.73 ESR2 (0.46) MAP2K1ALDH1A1
Pyroquilon SCHEMBL22234 0.72 MAP2K1 (0.55) MAP2K1CA12CA1CA2CA4
Pyroquilon SCHEMBL29473240 0.72 MAP2K1 (0.55) MAP2K1CA12CA1CA2CA4
Pyroquilon SCHEMBL8820252 0.72 MAP2K1 (0.55) MAP2K1CA12CA1CA2CA4
SCHEMBL1762381 0.72 CYP11B2 (0.67) CYP11B1CYP11B2
SCHEMBL13388583 0.71 MAP2K1 (0.44) MAP2K1MEN1KMT2AALDH1A1HTR2A

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 MAP2K1 3589/4885MEN1 4579/4885KMT2A 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.