SCHEMBL18088237

SCHEMBL18088237

C[C@H]1N(c2cccc(C#N)c2)c2ccccc2N1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
NSD2 O96028 1/20 0.38
NOTUM Q6P988 2/20 0.38
MGLL Q99685 2/20 0.37
TNF P01375 1/20 0.37
LITAF Q99732 1/20 0.37
ALOX5 P09917 1/20 0.36
PRKDC P78527 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL17169542 0.81 HTR2A (0.37) DRD3MGLLPRKDC
SCHEMBL17169533 0.81 HTR7 (0.39) MGLLPRKDC
SCHEMBL17169530 0.81 HTR2A (0.36) DRD3MGLLPRKDC
SCHEMBL17169544 0.81 HTR7 (0.39) MGLLPRKDC
SCHEMBL17173248 0.75 FADS1 (0.41) FADS1DRD2DRD3NSD2NOTUM
SCHEMBL17169538 0.74 FADS1 (0.40) FADS1DRD2DRD3NSD2NOTUM
SCHEMBL16790773 0.72 DRD2 (0.49) FADS1DRD2DRD3NSD2NOTUM
SCHEMBL17173249 0.72 DRD2 (0.40) DRD2DRD3NSD2NOTUMMGLL
SCHEMBL19749032 0.71 OPRL1 (0.45)
SCHEMBL26828145 0.71 SLC18A3 (0.39) ALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB FADS1 3699/4885DRD2 3257/4885DRD3 3329/4885

“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.