SCHEMBL1625507

SCHEMBL1625507

C=C(C#N)CC(C#N)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ DRD2 P14416 2/20 0.49
▸ DRD4 P21917 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ KCNA3 P22001 8/20 0.44
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRM3 P20309 5/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR3 P51677 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
SCHEMBL12449783 0.89 ATM (0.41) ATMDRD2DRD4OPRM1DRD3
SCHEMBL1226943 0.81 TAAR1 (0.44) ATMDRD2DRD4OPRM1DRD3
SCHEMBL11361183 0.80 ATM (0.50) ATMDRD2DRD4OPRM1DRD3
SCHEMBL2066381 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL6258542 0.76 DRD2 (0.68) ATMDRD2DRD4OPRM1DRD3
SCHEMBL5857455 0.74 ATM (0.57) ATMDRD2DRD4OPRM1DRD3
SCHEMBL28481925 0.73 DRD2 (0.59) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10796236 0.72 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL11712752 0.72 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL651852 0.72 ATM (0.55) ATMDRD2DRD4OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 — — US disclosed
US-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 — — US disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 — — US disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 — — US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 — — US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 — — US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 — — US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 — — US disclosed
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 — — US disclosed
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 — — US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 — — US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 — — 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-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 ATM 1838/4885DRD2 3450/4885DRD4 2749/4885
US-20070257234-A1 Stabilization of Organic Materials LPO, SOD1, GPX1 ATM 1850/4885DRD2 3304/4885DRD4 2643/4885

“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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