SCHEMBL19742648

SCHEMBL19742648

CN(Cc1ccccc1)CC1(NC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44
NAMPT P43490 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 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
SCHEMBL19742775 0.84 AKT1 (0.50) NPC1RAB9AACHEBCHECA12
SCHEMBL19742740 0.73 NPC1 (0.54) NPC1RAB9ACA12CA9NPSR1
SCHEMBL6382650 0.71 ALDH1A1 (0.43) NPC1RAB9AACHEBCHECA12
SCHEMBL8644534 0.70 CARM1 (0.38) NPC1RAB9AACHEBCHENAMPT
SCHEMBL27655696 0.70 NAMPT (0.43) NPC1RAB9AACHEBCHENAMPT
SCHEMBL3717417 0.69 ADRB2 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL40675 0.68 KDM4A (0.66) NPC1RAB9AACHEBCHEKMT2A
SCHEMBL3618445 0.68 ADRB2 (0.65) ALDH1A1TSHRKMT2A
SCHEMBL7432043 0.68 SLC6A2 (0.41) KDM4EALDH1A1TSHRSMN1; SMN2CARM1
SCHEMBL10644239 0.68 HTR1D (0.47) ALDH1A1TSHRKMT2ACARM1PRMT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 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 (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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885ACHE 2707/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885ACHE 2707/4885

“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.