SCHEMBL17200351

SCHEMBL17200351

Clc1nccc2cnn(C3CCCCO3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATR Q13535 11/20 0.43
▸ CYP4F2 P78329 5/20 0.42
▸ CYP4A11 Q02928 5/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.38
▸ IDH1 O75874 1/20 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
SCHEMBL31211538 0.81 RXRA (0.47) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL31358026 0.80 ALDH1A1 (0.44) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL15666749 0.79 CYP4F2 (0.42) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL30291997 0.79 CYP4F2 (0.42) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL31058056 0.78 ALDH1A1 (0.42) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL31750098 0.78 ALDH1A1 (0.42) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL23458850 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL30828321 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL30301952 0.75 CYP4F2 (0.46) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL29864329 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPOLBATRCYP4F2

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
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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — 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 (1 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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 ALDH1A1 103/4885LMNA 4162/4885POLB 2304/4885

“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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