SCHEMBL17178254

SCHEMBL17178254

COc1ccc(-c2cccc(=O)n2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.42
▸ DRD1 P21728 2/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ NQO2 P16083 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL17178293 0.85 CYP1A2 (0.53) CRHR1CYP19A1KDM4ESMN1; SMN2CYP1A1
SCHEMBL17174345 0.84 DRD1 (0.36) DRD1L3MBTL1BRD4ALDH1A1
SCHEMBL10563856 0.79 ALDH1A1 (0.44) CRHR1DRD1CYP19A1NQO2L3MBTL1
SCHEMBL19390809 0.78 AR (0.54) ALDH1A1
SCHEMBL17375980 0.76 HRH3 (0.49) BRD4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29079816 0.75 MEN1 (0.39) CRHR1DRD1L3MBTL1
SCHEMBL10568492 0.74 CRHR1 (0.40) CRHR1L3MBTL1KDM4ESMN1; SMN2CYP1A2
SCHEMBL17174379 0.73 CYP1A2 (0.40) CYP19A1NQO2BRD4KDM4ECYP1A1
SCHEMBL19371589 0.73 DRD1 (0.69) DRD1
SCHEMBL12326180 0.72 CA1 (0.50) KDM4EALDH1A1HPGDNPSR1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323821-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2018-05-23 — — EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 — — EP 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
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 CRHR1 123/4885DRD1 10/4885CYP19A1 731/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CRHR1 31/4885DRD1 10/4885CYP19A1 973/4885

“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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