SCHEMBL20720626

SCHEMBL20720626

CNc1c2ccccc2nc2cc(OCCCN3CCCC3)c(Cl)c(OC=O)c12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.46
HRH3 Q9Y5N1 9/20 0.43
CACNA2D1 P54289 1/20 0.43
KCNH2 Q12809 7/20 0.42
ADRA1A P35348 3/20 0.41
SRC P12931 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL20720711 0.90 ACP1 (0.46) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720625 0.89 ACP1 (0.45) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720609 0.89 ACP1 (0.47) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720776 0.87 ACP1 (0.43) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720695 0.84 HRH3 (0.47) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720778 0.82 ACP1 (0.45) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720734 0.80 EHMT2 (0.48) ACP1
Formic Acid SCHEMBL19260731 0.80 ACP1 (0.50) ACP1HRH3CACNA2D1KCNH2ADRA1A
SCHEMBL20720659 0.79 EHMT2 (0.39) ACP1HRH3CACNA2D1KCNH2SRC
SCHEMBL20720742 0.79 ACP1 (0.45) ACP1HRH3HTR4

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
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 US disclosed
EP-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 EP disclosed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 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-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 ACP1 3686/4885HRH3 1038/4885CACNA2D1 1539/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ACP1 3686/4885HRH3 1038/4885CACNA2D1 1539/4885

“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.