SCHEMBL10186610

SCHEMBL10186610

Brc1ccc(CCCOc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.56
▸ DRD4 P21917 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ FFAR1 O14842 3/20 0.56
▸ KCNA3 P22001 1/20 0.56
▸ PPARG P37231 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL7474215 0.87 FFAR1 (0.61) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL839323 0.86 DRD2 (0.71) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL9206786 0.84 KCNA3 (0.73) DRD2DRD4DRD3KCNA3MEN1
SCHEMBL20361216 0.82 NPC1 (0.67) FFAR1GAAMEN1KMT2ANPC1
SCHEMBL8417765 0.81 KCNA3 (0.61) KCNA3MEN1KMT2ANPC1RAB9A
SCHEMBL28807540 0.81 FFAR1 (0.60) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL30394052 0.80 MAOB (0.67) DRD2DRD4DRD3KMT2ARAB9A
SCHEMBL19897758 0.80 MAOB (0.67) DRD2DRD4DRD3KMT2ARAB9A
SCHEMBL7440812 0.80 KCNH2 (0.56) DRD2DRD4FFAR1PPARGMEN1
SCHEMBL4981505 0.79 KCNA3 (0.73) DRD2DRD4DRD3FFAR1KCNA3

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-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 — — EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — WO disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 — — US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 — — US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 — — 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 DRD2 3736/4885DRD4 3811/4885DRD3 3027/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT DRD2 4051/4885DRD4 3961/4885DRD3 3522/4885

“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.

Send feedback