SCHEMBL4844573

SCHEMBL4844573

O=C(O)NCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
POLB P06746 3/20 0.53
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 5/20 0.50
TACR1 P25103 1/20 0.49
KMT2A Q03164 3/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM4 P08173 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3129232 0.91 MAPT (0.53) MAPTPOLBDRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL4846324 0.90 MAPT (0.52) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3135648 0.88 MAPT (0.53) MAPTPOLBDRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL4849577 0.87 MAPT (0.52) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3135476 0.85 SLC6A2 (0.53) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3129391 0.85 POLB (0.50) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3244283 0.85 KDM4E (0.45) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL5628570 0.85 TACR1 (0.42) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3129315 0.84 POLB (0.47) MAPTPOLBDRD2DRD3ALDH1A1
SCHEMBL3134693 0.84 PHGDH (0.49) MAPTPOLBDRD2DRD3ALDH1A1

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 MAPT 1355/4885POLB 3194/4885DRD2 3970/4885

“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.