SCHEMBL1829488

SCHEMBL1829488

CCCCCCC(N)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.71
EPHX1 P07099 1/20 0.57
SIGMAR1 Q99720 5/20 0.56
ANPEP P15144 1/20 0.50
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL873387 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL10399079 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8161936 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8420654 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL11455433 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL4878177 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Water SCHEMBL6256326 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Hydrochloric Acid SCHEMBL10939849 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Bromide SCHEMBL14128593 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Hydrochloric Acid SCHEMBL1072928 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254685-B2 Abuse-resistant long-acting release opioid prodrugs SUZHOU RUNXINDATAI PHARMACEUTICS LTD CO. (CN) 2022-02-22 US disclosed
US-20200148694-A1 ABUSE-RESISTANT LONG-ACTING RELEASE OPIOID PRODRUGS SUZHOU RUNXINDATAI PHARMACEUTICS LTD CO. (CN) 2020-05-14 US disclosed
EP-2318126-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-11 EP disclosed
WO-2010006196-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 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-11254685-B2 Abuse-resistant long-acting release opioid prodrugs OPRK1, OPRM1, OPRL1 CSNK1E 1863/4885EPHX1 1688/4885SIGMAR1 6/4885
US-20200148694-A1 ABUSE-RESISTANT LONG-ACTING RELEASE OPIOID PRODRUGS OPRK1, OPRM1, OPRL1 CSNK1E 1863/4885EPHX1 1688/4885SIGMAR1 6/4885

“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.