SCHEMBL4852940

SCHEMBL4852940

CN(CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.46
MAPT P10636 6/20 0.46
POLB P06746 4/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3135476 0.89 SLC6A2 (0.53) TACR1MAPTPOLBALDH1A1LMNA
SCHEMBL3131977 0.87 MAPT (0.48) TACR1MAPTPOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL4852931 0.86 MAPT (0.48) TACR1MAPTPOLBALDH1A1LMNA
SCHEMBL4852933 0.85 MAPT (0.47) TACR1MAPTPOLBALDH1A1LMNA
SCHEMBL4848475 0.84 SLC6A4 (0.47) TACR1POLBKMT2AMEN1SLC6A2
SCHEMBL3135648 0.83 MAPT (0.53) TACR1MAPTPOLBALDH1A1LMNA
SCHEMBL3129232 0.82 MAPT (0.53) TACR1MAPTPOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL4849577 0.82 MAPT (0.52) TACR1MAPTPOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL4846324 0.81 MAPT (0.52) TACR1MAPTPOLBALDH1A1LMNA
SCHEMBL4849540 0.81 OPRL1 (0.50) TACR1ALDH1A1LMNAHTTKMT2A

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-7423039-B2 (4-phenylpiperazin-1-yl)acylpiperidine derivatives, preparation thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
US-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-25 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-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS AGPAT5, DNPEP, AGPAT2 TACR1 1214/4885MAPT 1355/4885POLB 3194/4885

“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.