SCHEMBL3326029

SCHEMBL3326029

Cc1ccc(N[C@H]2CC[C@@H](C(=O)N3CCN(C(C)C)C(C)C3)CC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.42
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3326025 1.00 GFER (0.50) GFERL3MBTL1USP2HTTALDH1A1
SCHEMBL3325323 0.87 POLB (0.44) GFERL3MBTL1HTTALDH1A1NPC1
SCHEMBL3325385 0.87 POLB (0.44) GFERL3MBTL1HTTALDH1A1NPC1
SCHEMBL3325327 0.87 POLB (0.44) GFERL3MBTL1HTTALDH1A1NPC1
SCHEMBL3327449 0.86 ALDH1A1 (0.42) GFERALDH1A1TSHREPHX2LMNA
SCHEMBL3324458 0.86 ALDH1A1 (0.42) GFERALDH1A1TSHREPHX2LMNA
SCHEMBL3324461 0.86 ALDH1A1 (0.42) GFERALDH1A1TSHREPHX2LMNA
SCHEMBL3324820 0.84 GFER (0.49) GFERL3MBTL1USP2HTTALDH1A1
SCHEMBL3326261 0.84 GFER (0.49) GFERL3MBTL1USP2HTTALDH1A1
SCHEMBL3324826 0.84 GFER (0.49) GFERL3MBTL1USP2HTTALDH1A1

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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 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 (2 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 GFER 3334/4885L3MBTL1 3512/4885USP2 4638/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 GFER 3334/4885L3MBTL1 3512/4885USP2 4638/4885

“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.