SCHEMBL17174362

SCHEMBL17174362

Cc1cnnc(C)c1-c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL15698812 0.81 KDM4E (0.46) KDM4EGAAMAPT
SCHEMBL17174358 0.77 DRD1 (0.41) DRD1
SCHEMBL17174359 0.76 DRD1 (0.40) DRD1KDM4EGAAMAPK1
SCHEMBL15705495 0.74 DRD1 (0.42) NPSR1DRD1RIPK1KDM4EGAA
SCHEMBL19390564 0.74 SENP1 (0.45) MAPT
SCHEMBL16687371 0.73 BRD4 (0.42) MAPTMAPK1
SCHEMBL17174307 0.70 RIPK1 (0.38) NPSR1RIPK1KDM4EGAAMAPT
SCHEMBL17174351 0.70 DRD1 (0.40) NPSR1DRD1SCN5A
SCHEMBL16334643 0.70 DRD1 (0.55) DRD1KDM4E
SCHEMBL198046 0.70 RIPK1 (0.43) RIPK1KDM4EMAPTMAPK1SCN5A

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
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 — — US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 — — US 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-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-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 (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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 NPSR1 75/4885DRD1 5/4885RIPK1 2011/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 NPSR1 17/4885DRD1 10/4885RIPK1 1229/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 NPSR1 26/4885DRD1 10/4885RIPK1 1030/4885

“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