SCHEMBL3336712

SCHEMBL3336712

Fc1ccc(C2OCCO2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
OPRL1 P41146 8/20 0.42
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
HRH1 P35367 1/20 0.34
GRM5 P41594 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
SCHEMBL7670453 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5040961 0.80 HTR2C (0.47) SLC6A4HTR2AHTR2CHTR2BOPRL1
SCHEMBL7784244 0.78 HTR2A (0.51) SLC6A4HTR2AHTR2CHTR2BOPRL1
SCHEMBL6528297 0.77 HSD17B10 (0.45)
SCHEMBL12656462 0.77 KDM1A (0.34) SLC6A4HTR2AHTR2CHTR2BCHRNB2
SCHEMBL31725635 0.77 KDM1A (0.34) SLC6A4HTR2AHTR2CHTR2BCHRNB2
SCHEMBL15421330 0.76 CYP11B1 (0.41) OPRL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10436530 0.74 SLC6A4 (0.38) SLC6A4HTR2AHTR2CHTR2BHPGD
SCHEMBL17514569 0.74 OPRL1 (0.55) SLC6A4HTR2AHTR2CHTR2BOPRL1
SCHEMBL12553033 0.73 HTR2C (0.37) SLC6A4HTR2AHTR2CCHRNB2CHRNB4

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
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 SLC6A4 2725/4885HTR2A 966/4885HTR2C 760/4885

“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.