SCHEMBL1715344

SCHEMBL1715344

CC(C)(C)OC(=O)N1CCN(CCCCCCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACKR3 P25106 2/20 0.45
TLR8 Q9NR97 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
EPHX2 P34913 5/20 0.43
KMT5A Q9NQR1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28536701 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL25507301 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL25507694 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL12193455 0.98 USP2 (0.47) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL29215294 0.94 MEN1 (0.44) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL214593 0.94 USP2 (0.49) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL8253901 0.94 USP2 (0.51) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL20873847 0.89 USP2 (0.53) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL27317678 0.88 MEN1 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL29129466 0.88 TLR8 (0.53) USP2SMN1; SMN2ACKR3TLR8CHRM2

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
CN-116768903-A Pyrrolo pyrimidine derivative, preparation method thereof, pharmaceutical composition and application 河北康泰药业有限公司 2023-09-19 CN disclosed
CN-112574216-B Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 天津济坤医药科技有限公司 2022-03-08 CN disclosed
CN-112574216-A Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 天津济坤医药科技有限公司 2021-03-30 CN disclosed
WO-2014056852-A1 LABELED LIGANDS OF THE OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2014-04-17 WO disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP 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 (1 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA USP2 4155/4885SMN1; SMN2 1381/4885ACKR3 800/4885

“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.