SCHEMBL1786791

SCHEMBL1786791

CC(O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM1A O60341 9/20 0.45
MAOB P27338 8/20 0.45
MAOA P21397 7/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2B6 P20813 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
HTR2C P28335 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL12611380 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL1786790 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL12611241 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL27314736 0.79 MAOB (0.45) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL7086540 0.79 MAOB (0.50) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL7086537 0.79 MAOB (0.50) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL27896944 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1KDM1ASLC6A3MCL1
SCHEMBL27776833 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1KDM1ASLC6A3MCL1
SCHEMBL18533592 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1KDM1AMAOBMAOA
SCHEMBL8098456 0.76 HTR2C (0.54) HTR2CHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765348-B1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2016-08-03 EP disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 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 (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-20110124924-A1 Cyclopropanation Process CBR3, CYP4F3, DBF4 SMN1; SMN2 3699/4885NPSR1 4224/4885KDM1A 3981/4885

“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.