SCHEMBL6632269

SCHEMBL6632269

CC(NC(=O)O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRD1 P41143 9/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 2/20 0.33
CHKA P35790 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL11108303 0.86 CHRM5 (0.43) CHRM5CHRM3OPRD1SIGMAR1CYP1A2
SCHEMBL17141355 0.81 ATM (0.39) SIGMAR1CYP1A2MEN1KMT2A
SCHEMBL17141389 0.81 ATM (0.39) SIGMAR1CYP1A2MEN1KMT2A
SCHEMBL730166 0.78 TSHR (0.47) CHRM5CHRM3OPRD1SIGMAR1CYP1A2
SCHEMBL733022 0.78 CHRM5 (0.40) CHRM5CHRM3OPRD1SIGMAR1CYP1A2
SCHEMBL6396274 0.76 SMN1; SMN2 (0.47) KMT2A
SCHEMBL9331350 0.75 CHRM5 (0.38) CHRM5CHRM3OPRD1SIGMAR1CYP1A2
SCHEMBL3127868 0.75 CA1 (0.41) CHRM5CHRM3SIGMAR1CA2CA1
SCHEMBL9317068 0.73 SIGMAR1 (0.37) CHRM5CHRM3OPRD1SIGMAR1CYP1A2
SCHEMBL27154469 0.73 CHRM5 (0.42) CHRM5CHRM3SIGMAR1CYP1A2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596039-B1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INT BV (NL) 2021-05-05 EP disclosed
US-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-04-30 US disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
US-3864345-A Process for preparing novel N-(piperazinylethyl)-carbamates DOW CHEMICAL COMPANY, THE 1975-02-04 US disclosed
US-3864345-A Process for preparing novel N-(piperazinylethyl)-carbamates DOW CHEMICAL COMPANY, THE 1975-02-04 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 (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-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF HNMT, PNMT, HRH2 CHRM5 205/4885CHRM3 174/4885OPRD1 1938/4885

“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.