SCHEMBL19260586

SCHEMBL19260586

CC(C)Nc1c2ccccc2nc2cc(OCCCN3CCCC3)c(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.58
ACP1 P24666 1/20 0.51
HRH3 Q9Y5N1 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
EHMT2 Q96KQ7 4/20 0.46
DNMT1 P26358 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 3/20 0.44
SLC2A1 P11166 1/20 0.44
ADRA1A P35348 2/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
SRC P12931 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL20720656 0.92 CACNA2D1 (0.50) CACNA2D1ACP1HRH3L3MBTL1CYP1A2
SCHEMBL19260540 0.92 ACP1 (0.53) CACNA2D1ACP1HRH3L3MBTL1CYP1A2
SCHEMBL19260819 0.89 CACNA2D1 (0.59) CACNA2D1ACP1HRH3L3MBTL1CYP2D6
SCHEMBL19260641 0.88 CACNA2D1 (0.58) CACNA2D1ACP1EHMT2DNMT1TLR9
Formic Acid SCHEMBL19260731 0.87 ACP1 (0.50) CACNA2D1ACP1HRH3L3MBTL1CYP1A2
SCHEMBL19260827 0.84 ACP1 (0.57) ACP1HRH3L3MBTL1CYP1A2CYP2D6
Formic Acid SCHEMBL19260568 0.84 CACNA2D1 (0.53) CACNA2D1ACP1HRH3L3MBTL1CYP2D6
SCHEMBL19260700 0.81 CACNA2D1 (0.59) CACNA2D1EHMT2DNMT1TLR9TLR7
SCHEMBL20720593 0.81 CACNA2D1 (0.59) CACNA2D1EHMT2DNMT1TLR9TLR7
SCHEMBL19260776 0.81 CACNA2D1 (0.59) CACNA2D1EHMT2DNMT1TLR9TLR7

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 11 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 claimed
EP-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 EP claimed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 US claimed
EP-3416963-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2018-12-26 EP claimed
WO-2017142947-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-08-24 WO claimed
US-11584734-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 US disclosed
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2020-11-19 US disclosed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 US disclosed
EP-3416963-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2018-12-26 EP disclosed
WO-2017142947-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-08-24 WO 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 (4 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 1539/4885ACP1 3686/4885HRH3 1038/4885
US-11584734-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 771/4885ACP1 3704/4885HRH3 1063/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 1539/4885ACP1 3686/4885HRH3 1038/4885
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 CACNA2D1 771/4885ACP1 3704/4885HRH3 1063/4885

“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.