SCHEMBL2933580

SCHEMBL2933580

C=CC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
CNR2 P34972 5/20 0.48
SIGMAR1 Q99720 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
SCHEMBL31663802 0.85 DRD4 (0.57) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1947037 0.85 DRD4 (0.57) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5437188 0.84 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8719927 0.81 DRD4 (0.53) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1515213 0.80 DRD4 (0.61) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2310077 0.80 DRD4 (0.61) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2769596 0.80 DRD4 (0.61) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31328464 0.78 DRD4 (0.63) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL352001 0.77 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1877824 0.77 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB DRD4 319/4885CYP1A2 402/4885CYP3A4 214/4885

“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.