SCHEMBL4948885

SCHEMBL4948885

CC(C)(O)c1cccc(CCCN)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.50
KIF11 P52732 3/20 0.46
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR6 P50406 1/20 0.39
NOS1 P29475 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL18802736 0.89 HDAC1 (0.44) TAAR1CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL18802813 0.89 TAAR1 (0.43) TAAR1CYP1A2CYP2C19NOS1CYP4F2
SCHEMBL18802810 0.87 LPL (0.45) TAAR1CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL18802748 0.87 LPL (0.45) TAAR1CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL13959463 0.87 TAAR1 (0.47) TAAR1KIF11DRD2DRD1MAOA
SCHEMBL12062277 0.86 TAAR1 (0.53) TAAR1KIF11DRD2DRD1MAOA
SCHEMBL18802729 0.85 TAAR1 (0.46) TAAR1KIF11MAOACYP1A2CYP2C19
SCHEMBL3193136 0.84 CYP4F2 (0.45) TAAR1DRD2CYP1A2CYP2C19HTR6
SCHEMBL10237600 0.84 KIF11 (0.49) TAAR1KIF11DRD2DRD1MAOA
SCHEMBL10287092 0.84 TAAR1 (0.45) TAAR1KIF11DRD2DRD1MAOA

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
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 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-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C TAAR1 4217/4885KIF11 2636/4885DRD2 1215/4885
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A TAAR1 983/4885KIF11 2434/4885DRD2 528/4885

“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.