SCHEMBL13752344

SCHEMBL13752344

[2H]C1([2H])C2=C(CN1C)c1ccccc1Oc1ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 8/20 0.48
▸ DRD2 P14416 7/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ TP53 P04637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HRH4 Q9H3N8 7/20 0.47
▸ HRH1 P35367 4/20 0.47
▸ HRH2 P25021 4/20 0.47
▸ ADRA2A P08913 4/20 0.47
▸ HTR2A P28223 4/20 0.47
▸ CHRM2 P08172 3/20 0.47
▸ HTR1A P08908 3/20 0.47
▸ ADRA2B P18089 3/20 0.47
▸ ADRA2C P18825 3/20 0.47
▸ DRD1 P21728 3/20 0.47
▸ SLC6A2 P23975 3/20 0.47

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
SCHEMBL10733741 0.80 DRD4 (0.57) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL11590816 0.73 SETD7 (0.42) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL3152103 0.73 DRD2 (0.44) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL875920 0.73 DRD2 (0.44) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL11589967 0.71 GAA (0.44) CYP1A2TDP1MAPTCYP2C19HTR2A
SCHEMBL11113950 0.70 SETD7 (0.39) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL12070616 0.70 MAPK1 (0.51) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL19537683 0.69 MAPK1 (0.57) DRD4DRD2CYP1A2CYP3A4CYP2D6
Clopipazan SCHEMBL1816896 0.69 SETD7 (0.76) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL11081947 0.68 TSHR (0.40) DRD4DRD2HRH4HTR2BHTR7

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-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE PROTIA, LLC (US) 2009-08-20 — — 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-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE NSD2, DRD2, SNRPD2 DRD4 17/4885DRD2 2/4885CYP1A2 646/4885

“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.

Send feedback