SCHEMBL2862029

SCHEMBL2862029

O=C(O)C1CCCNC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
TACR1 P25103 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
DGAT1 O75907 1/20 0.43
GMNN O75496 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2862032 1.00 HTR2C (0.46) HTR2CTACR1MEN1KMT2ATP53
SCHEMBL28199047 0.91 HTR2C (0.49) HTR2CTACR1MAPTLMNADGAT1
Hydrochloric Acid SCHEMBL20959290 0.82 MEN1 (0.45) TACR1MEN1KMT2ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL20959291 0.82 MEN1 (0.45) TACR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL16579321 0.82 MEN1 (0.50) TACR1MEN1KMT2ATP53CYP1A2
SCHEMBL13604483 0.81 ALDH1A1 (0.47) HTR2CTACR1MEN1KMT2ATP53
SCHEMBL2712838 0.80 TACR1 (0.44) HTR2CTACR1MEN1KMT2ATP53
SCHEMBL3587894 0.80 TACR1 (0.44) HTR2CTACR1MEN1KMT2ATP53
SCHEMBL2712836 0.80 TACR1 (0.44) HTR2CTACR1MEN1KMT2ATP53
SCHEMBL4507024 0.78 HTR2C (0.41) HTR2CTACR1MEN1KMT2ATP53

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-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP HTR2C 1373/4885TACR1 380/4885MEN1 4329/4885

“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.