SCHEMBL3620446

SCHEMBL3620446

COC(=O)C1(O)CCCC1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL28278368 0.94 MAPT (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL4225099 0.78 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL21670228 0.77 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL2839539 0.76 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL3624905 0.75 GRM2 (0.32)
SCHEMBL28177553 0.75 KMT2A (0.38) MAPTNPSR1ALDH1A1L3MBTL1LMNA
SCHEMBL4050823 0.73 MAPT (0.46) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL27991277 0.69 LMNA (0.32) LMNA
SCHEMBL1709532 0.65 CYP3A4 (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL9583315 0.65 NPSR1 (0.37) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 US disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 MAPT 4223/4885NPSR1 334/4885ALDH1A1 1941/4885

“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.