SCHEMBL17174359

SCHEMBL17174359

COc1cc(OC(C)(C)C)ccc1-c1c(C)cnnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 3/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP4B1 P13584 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34

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
SCHEMBL15688327 0.88 CYP1A1 (0.46) DRD1MEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL17174351 0.84 DRD1 (0.40) DRD1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17174358 0.83 DRD1 (0.41) DRD1CYP1A2
SCHEMBL15698728 0.82 DRD1 (0.40) DRD1MEN1KMT2ACYP1A1CYP1B1
SCHEMBL19390840 0.82 CACNA2D1 (0.46) DRD1MEN1KMT2AALDH1A1GAA
SCHEMBL19390602 0.80 ACHE (0.43) DRD1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15705511 0.78 DRD1 (0.50) DRD1MEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL15688326 0.78 ESR1 (0.44) DRD1MEN1KMT2AGAA
SCHEMBL17174362 0.76 NPSR1 (0.35) DRD1GAAMAPK1KDM4E
SCHEMBL15667486 0.76 DRD1 (0.54) DRD1MEN1KMT2ACYP1A2CYP3A4

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 7 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
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 DRD1 5/4885MEN1 2984/4885KMT2A 1980/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 DRD1 10/4885MEN1 3175/4885KMT2A 4299/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 DRD1 10/4885MEN1 2835/4885KMT2A 2934/4885

“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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