SCHEMBL3587894

SCHEMBL3587894

O=C(O)C[C@H]1CCCN[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2C P28335 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.39

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
SCHEMBL2712838 1.00 TACR1 (0.44) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2712836 1.00 TACR1 (0.44) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4549803 0.85 TACR1 (0.41) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2862029 0.80 HTR2C (0.46) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2862032 0.80 HTR2C (0.46) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4507024 0.74 HTR2C (0.41) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8196031 0.74 PSEN1 (0.50) HTR2CKDM1A
SCHEMBL2886373 0.74 PSEN1 (0.50) HTR2CKDM1A
SCHEMBL4507030 0.74 HTR2C (0.41) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL28199047 0.73 HTR2C (0.49) TACR1MAPTHTR2CLMNAKDM1A

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
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 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-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TACR1 316/4885TP53 4078/4885CYP1A2 1187/4885

“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.