SCHEMBL2394055

SCHEMBL2394055

CCN(C(=O)CC1CCN(C)CC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
HTR2A P28223 2/20 0.39
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
FSCN1 Q16658 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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 SCHEMBL1935979 0.94 HRH1 (0.40) CYP3A4HTR2AFNTAFNTBGAA
SCHEMBL2395354 0.91 LMNA (0.40) CYP3A4HTR2AFNTAFNTBLMNA
Fumaric Acid SCHEMBL1936654 0.85 HRH1 (0.40) FNTAFNTBGAALMNATP53
SCHEMBL2396105 0.84 ALDH1A1 (0.35) LMNATSHR
SCHEMBL2394229 0.84 SLC6A2 (0.46) CYP3A4FSCN1GAAMCOLN3
SCHEMBL2396182 0.83 CYP3A4 (0.44) CYP3A4
SCHEMBL2396429 0.81 ALDH1A1 (0.42) HTR2APOLBTSHR
SCHEMBL2395522 0.81 CYP1A2 (0.46) CYP3A4HTR2AGAALMNATP53
SCHEMBL2397616 0.80 POLB (0.39) POLB
SCHEMBL2395603 0.80 CCR5 (0.41)

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 CYP3A4 491/4885HTR2A 35/4885FNTA 2641/4885

“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.