SCHEMBL21458370

SCHEMBL21458370

O=C(OCc1ccccc1)N1CCC(OCCOCCO)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 9/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.46
ENPP2 Q13822 1/20 0.45
BCHE P06276 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44

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
SCHEMBL21458882 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17765068 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16333465 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30380317 0.93 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1320183 0.93 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28978024 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16340503 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16333453 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4112297 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21906825 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 US disclosed
CN-117510504-A Protein kinase degradation agent, medicine and application 深圳市新樾生物科技有限公司 2024-02-06 CN disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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 (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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SMN1; SMN2 697/4885NPC1 3779/4885RAB9A 3392/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SMN1; SMN2 697/4885NPC1 3779/4885RAB9A 3392/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 SMN1; SMN2 903/4885NPC1 3337/4885RAB9A 2309/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL SMN1; SMN2 697/4885NPC1 3779/4885RAB9A 3392/4885

“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.