SCHEMBL2398884

SCHEMBL2398884

CCN1CCC(CC(=O)N(CC)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
GHSR Q92847 1/20 0.44
CCR5 P51681 10/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
ACHE P22303 1/20 0.40
PKM P14618 2/20 0.40
OPRK1 P41145 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40

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 SCHEMBL1936589 0.94 HRH3 (0.41) HRH3GHSRCCR5ALDH1A1KDM4E
SCHEMBL2395364 0.91 CCR5 (0.46) CCR5
SCHEMBL2395603 0.89 CCR5 (0.41) CCR5CHRM3OPRK1UTS2R
Hydrochloric Acid SCHEMBL2396854 0.88 OPRM1 (0.41) CCR5CHRM3OPRK1UTS2R
SCHEMBL2395996 0.86 TP53 (0.44) HRH3CCR5
Fumaric Acid SCHEMBL1936098 0.85 CCR5 (0.42) CCR5CHRM2CHRM3
SCHEMBL1937045 0.83 SLC6A4 (0.47) CHRM2CHRM3OPRK1
Hydrochloric Acid SCHEMBL1936328 0.82 SLC6A4 (0.47) OPRK1
SCHEMBL1936320 0.82 TGFBR1 (0.44) KDM4EPKM
Fumaric Acid SCHEMBL1935942 0.81 TP53 (0.40) HRH3CCR5

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 3 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
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
WO-2010023197-A2 NOVEL PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 WO 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 HRH3 140/4885GHSR 2117/4885CCR5 2539/4885

“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.