SCHEMBL3624905

SCHEMBL3624905

O=C(O)C1(O)CCCC1F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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
SCHEMBL27991277 0.93 LMNA (0.32) GRM2GRM3
SCHEMBL3620446 0.75 MAPT (0.39)
SCHEMBL3227341 0.74 CYP1A2 (0.31)
SCHEMBL4565810 0.73 GRM4 (0.36) GRM2GRM3
SCHEMBL4565697 0.73 GRM4 (0.36) GRM2GRM3
SCHEMBL29156987 0.73 GRM2 (0.32) GRM2GRM3
SCHEMBL3860387 0.73 GRM2 (0.32) GRM2GRM3
SCHEMBL7439240 0.73 CYP1A2 (0.37)
Hydrochloric Acid SCHEMBL21670172 0.71 GRM2 (0.31) GRM2GRM3
Hydrochloric Acid SCHEMBL21670173 0.71 GRM2 (0.31) GRM2GRM3

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 GRM2 768/4885GRM3 490/4885

“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.