SCHEMBL9685823

SCHEMBL9685823

Nc1nc2ccccc2n1C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.47
ROCK1 Q13464 4/20 0.47
NOS2 P35228 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
OGFRL1 Q5TC84 3/20 0.45
PRKACA P17612 3/20 0.45
GSK3B P49841 3/20 0.45
RPS6KA5 O75582 1/20 0.43
TP53 P04637 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
CXCR4 P61073 1/20 0.41
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL11213404 0.98 RPS6KB1 (0.46) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL6196424 0.85 RPS6KB1 (0.58) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL21148134 0.85 RPS6KB1 (0.58) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL6198016 0.85 RPS6KB1 (0.58) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL6196431 0.85 RPS6KB1 (0.58) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL2929873 0.85 RPS6KB1 (0.58) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL21311255 0.84 OPRM1 (0.59) RPS6KB1ROCK1NOS2OPRM1OPRD1
SCHEMBL9876669 0.81 TP53 (0.46) RPS6KB1ROCK1OPRM1OPRD1OPRK1
SCHEMBL11791438 0.81 OPRM1 (0.45) RPS6KB1ROCK1OPRM1OPRD1OPRK1
SCHEMBL7587030 0.81 CCR5 (0.54) RPS6KB1ROCK1OPRM1OPRD1OPRK1

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-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof GB005, INC. (US) 2020-08-25 US disclosed
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF GB005, INC. 2019-08-29 US disclosed
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 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 (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-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof TEC, ITK, TXK RPS6KB1 593/4885ROCK1 356/4885NOS2 3982/4885
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF TEC, ITK, TXK RPS6KB1 593/4885ROCK1 356/4885NOS2 3982/4885

“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.