SCHEMBL4609665

SCHEMBL4609665

c1ccc(COC(C2CC2)[C@H]2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TACR1 P25103 2/20 0.35
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL10591424 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10591418 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4609605 0.80 TACR1 (0.40) SLC6A2SLC6A4SLC6A3TACR1TAAR1
SCHEMBL4610738 0.80 TACR1 (0.40) SLC6A2SLC6A4SLC6A3TACR1TAAR1
SCHEMBL4610227 0.76 IDO1 (0.44) CYP2D6TACR1IDO1TAAR1
SCHEMBL4610228 0.76 IDO1 (0.44) CYP2D6TACR1IDO1TAAR1
SCHEMBL11961363 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11961364 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL8588353 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL6133472 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL SLC6A2 2516/4885SLC6A4 1839/4885SLC6A3 1585/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR SLC6A2 2697/4885SLC6A4 2218/4885SLC6A3 1907/4885

“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.