SCHEMBL1313567

SCHEMBL1313567

CCCCCCCCc1cc2cc(C#N)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ CYP19A1 P11511 6/20 0.39
▸ ICMT O60725 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ BRPF1 P55201 1/20 0.37
▸ OXER1 Q8TDS5 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ CDC7 O00311 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
SCHEMBL10066950 0.82 CYP2A6 (0.44) DRD2DRD3RORCBRPF1ENPP3
SCHEMBL3699735 0.78 OXER1 (0.54) GPR84OXER1
SCHEMBL28870713 0.78 BRPF1 (0.45) TSHRGPR84PLA2G4ABRPF1OXER1
SCHEMBL287263 0.78 OXER1 (0.54) GPR84OXER1
SCHEMBL7443481 0.78 RORC (0.45) RORCBRPF1ENPP3CDC7
SCHEMBL30282852 0.78 TLR8 (0.44) GPR84RORCPLA2G4AOXER1
SCHEMBL19329672 0.77 CYP19A1 (0.38) TSHRHSD17B10CYP19A1CDC7
SCHEMBL19329643 0.77 CYP19A1 (0.38) TSHRHSD17B10CYP19A1CDC7
SCHEMBL28283584 0.77 BRPF1 (0.46) GPR84PLA2G4ABRPF1OXER1
SCHEMBL3696937 0.76 OXER1 (0.54) GPR84OXER1

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 TSHR 3295/4885HSD17B10 914/4885DRD2 4732/4885

“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.

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