SCHEMBL2395522

SCHEMBL2395522

CCN(C(=O)CC1CCN(C)CC1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOD2 Q9HC29 1/20 0.43
CCR5 P51681 6/20 0.42
OPRM1 P35372 1/20 0.42

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
Fumaric Acid SCHEMBL2396810 0.94 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL2397616 0.88 POLB (0.39) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL2396182 0.85 CYP3A4 (0.44) CYP3A4OPRM1
SCHEMBL1937032 0.84 CHRM1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2395603 0.84 CCR5 (0.41) CCR5OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2396854 0.83 OPRM1 (0.41) CCR5OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1935845 0.83 CHRM1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2399018 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTSHROPRM1
SCHEMBL1934810 0.81 PGR (0.39) CYP3A4KMT2AMEN1LMNAHPGD
Fumaric Acid SCHEMBL1935961 0.81 HRH1 (0.38) KMT2AMEN1LMNASMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US claimed
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN claimed
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CYP1A2 212/4885CYP3A4 491/4885CYP2C9 690/4885

“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.