SCHEMBL17178291

SCHEMBL17178291

COc1ccc(-c2c(C)cnnc2C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.45
▸ DRD1 P21728 3/20 0.43
▸ USP7 Q93009 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ POLQ O75417 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ PRKCZ Q05513 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
SCHEMBL15667486 0.86 DRD1 (0.54) DRD1RAB9A
SCHEMBL17174358 0.85 DRD1 (0.41) AMY1ADRD1
SCHEMBL15688327 0.84 CYP1A1 (0.46) DRD1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17200287 0.79 ESR1 (0.45) DRD1USP7
SCHEMBL15666746 0.75 DRD1 (0.53) AMY1ADRD1USP7PRKAB2PRKAG1
SCHEMBL17178219 0.75 DRD1 (0.44) DRD1ALDH1A1
SCHEMBL15698812 0.74 KDM4E (0.46) KDM4ENPC1RAB9A
SCHEMBL19371560 0.73 DRD1 (0.83) DRD1
SCHEMBL10340365 0.73 AMY1A (0.50) AMY1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17200368 0.73 DRD1 (0.50) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 — — EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
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
EP-3134087-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-01 — — EP disclosed
WO-2015162515-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — WO disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — 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 (3 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 AMY1A 2074/4885DRD1 10/4885USP7 3069/4885
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 AMY1A 333/4885DRD1 2/4885USP7 4004/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 AMY1A 1440/4885DRD1 10/4885USP7 4527/4885

“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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