SCHEMBL21667850

SCHEMBL21667850

Cc1cnccc1N1CC2CNCC2C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.53
▸ CHRNA4 P43681 8/20 0.53
▸ CHRNA7 P36544 5/20 0.53
▸ ROCK2 O75116 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ CDC42BPB Q9Y5S2 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.43
▸ CHRNB4 P30926 5/20 0.43
▸ CHRNA3 P32297 5/20 0.43
▸ BPTF Q12830 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL20510794 0.87 CHRNA7 (0.48) CHRNB2CHRNA4CHRNA7ROCK2ROCK1
SCHEMBL13355121 0.81 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7ROCK2ROCK1
SCHEMBL13322710 0.80 ROCK2 (0.49) CHRNB2CHRNA4CHRNA7ROCK2ROCK1
SCHEMBL10111971 0.76 BPTF (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14704620 0.76 BPTF (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1631742 0.75 ADRB1 (0.58) CHRNB2CHRNA4
SCHEMBL30040793 0.75 ADRB1 (0.58) CHRNB2CHRNA4
SCHEMBL28962419 0.72 BPTF (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15102773 0.72 BPTF (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL25584599 0.72 MAPT (0.47) ROCK2ROCK1CDC42BPBTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use Temple University—Of the Commonwealth System of Higher Education (US) 2023-11-21 — — US disclosed
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use Temple University—Of the Commonwealth System of Higher Education (US) 2023-11-21 — — US disclosed
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-11-25 — — US disclosed
US-10961249-B2 Modulators of the sigma-2 receptor and their method of use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-03-30 — — US disclosed
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-02-06 — — 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-10961249-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 CHRNB2 48/4885CHRNA4 168/4885CHRNA7 161/4885
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 CHRNB2 35/4885CHRNA4 153/4885CHRNA7 148/4885
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 CHRNB2 35/4885CHRNA4 153/4885CHRNA7 148/4885
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 CHRNB2 48/4885CHRNA4 168/4885CHRNA7 161/4885

“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.

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