SCHEMBL17178286

SCHEMBL17178286

COc1ccc(-c2c(OC)ccc3cnccc23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
CYP1A1 P04798 4/20 0.48
CYP1B1 Q16678 4/20 0.48
CYP1A2 P05177 4/20 0.48
DRD1 P21728 1/20 0.47
CYP11B1 P15538 9/20 0.46
CYP11B2 P19099 9/20 0.46
CYP17A1 P05093 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2B6 P20813 2/20 0.43
CHUK O15111 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL17174318 0.89 DRD1 (0.43) CYP3A4CYP1A1CYP1B1CYP1A2DRD1
SCHEMBL15698767 0.81 DRD1 (0.62) CYP3A4CYP1A2DRD1CYP11B1CYP11B2
SCHEMBL20101686 0.80 MAPT (0.69) CYP3A4CYP1A1CYP1B1CYP1A2CYP11B1
SCHEMBL25493360 0.76 IDO1 (0.45) CYP3A4CYP1A2DRD1CYP11B1CYP11B2
SCHEMBL19390537 0.75 DRD1 (0.58) CYP3A4CYP1A2DRD1CYP11B1CYP11B2
SCHEMBL25625872 0.74 CYP11B2 (0.53) CYP3A4CYP1A2CYP11B1CYP11B2CYP17A1
SCHEMBL4762859 0.74 MAPK8 (0.40) CYP3A4DRD1NPC1RAB9AALDH1A1
SCHEMBL17174268 0.73 DRD1 (0.56) CYP3A4CYP1A2DRD1CYP11B1CYP11B2
SCHEMBL26259332 0.72 PDGFRB (0.48) CYP3A4CYP1A1CYP1B1CYP1A2DRD1
SCHEMBL1204577 0.71 CYP11B2 (0.60) CYP3A4CYP1A2CYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 CYP3A4 803/4885CYP1A1 203/4885CYP1B1 280/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CYP3A4 1438/4885CYP1A1 742/4885CYP1B1 1135/4885

“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.