SCHEMBL17178237

SCHEMBL17178237

COc1ccc(-c2cnncc2C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
NOTUM Q6P988 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
GAA P10253 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CRHR1 P34998 4/20 0.37

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
SCHEMBL12326180 0.84 CA1 (0.50) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL15698784 0.81 ACACB (0.45) KMT2AALDH1A1HPGD
SCHEMBL20392906 0.81 NQO1 (0.42) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL17174368 0.81 CYP1A2 (0.34) MEN1KMT2ACYP1A2
SCHEMBL15667486 0.76 DRD1 (0.54) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL17178251 0.74 CYP11B1 (0.50) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL5859340 0.74 CYP11B1 (0.47) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL17178257 0.74 KDM5A (0.40) CYP11B1CYP11B2NOTUMALDH1A1GPBAR1
SCHEMBL15666355 0.74 DRD1 (0.41) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL19390801 0.73 ESR2 (0.55) MEN1MAPTKMT2AALDH1A1HPGD

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 CYP11B1 161/4885CYP11B2 238/4885NOTUM 4042/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CYP11B1 45/4885CYP11B2 77/4885NOTUM 4331/4885

“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.