SCHEMBL20720751

SCHEMBL20720751

CC[C@@H](C)Nc1c2ccccc2nc2cc(OCCCN3CCCC3)c(OC)c(OC(=O)C(F)(F)F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.46
HTR4 Q13639 1/20 0.41
EHMT2 Q96KQ7 6/20 0.40
EHMT1 Q9H9B1 5/20 0.40
ACP1 P24666 2/20 0.39
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
ACHE P22303 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL20720718 1.00 CACNA2D1 (0.46) CACNA2D1HTR4EHMT2EHMT1ACP1
SCHEMBL20720655 0.88 FLT3 (0.42) MET
SCHEMBL20720729 0.85 EHMT2 (0.52) EHMT2EHMT1ADRA1A
SCHEMBL20720657 0.85 CACNA2D1 (0.44) CACNA2D1HTR4EHMT2EHMT1ACP1
SCHEMBL20720716 0.85 EHMT2 (0.50) EHMT2EHMT1
SCHEMBL20720682 0.84 EHMT2 (0.43) HTR4EHMT2
Trifluoroacetic Acid SCHEMBL20720721 0.83 CACNA2D1 (0.52) CACNA2D1EHMT2EHMT1TLR9TLR7
Trifluoroacetic Acid SCHEMBL19260683 0.83 CACNA2D1 (0.52) CACNA2D1EHMT2EHMT1TLR9TLR7
Trifluoroacetic Acid SCHEMBL19260639 0.83 CACNA2D1 (0.52) CACNA2D1EHMT2EHMT1TLR9TLR7
SCHEMBL20720618 0.81 EHMT2 (0.38) HTR4EHMT2EHMT1HDAC3HDAC1

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 CACNA2D1 1539/4885HTR4 3486/4885EHMT2 2/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 1539/4885HTR4 3486/4885EHMT2 2/4885

“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.