SCHEMBL21667809

SCHEMBL21667809

Cc1cnccc1N1CC2(CNC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.43
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ LRRK2 Q5S007 3/20 0.37
▸ MAPT P10636 1/20 0.35
▸ ROCK1 Q13464 7/20 0.35
▸ CDC42BPB Q9Y5S2 7/20 0.35
▸ ROCK2 O75116 4/20 0.34
▸ CDC42BPA Q5VT25 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LATS1 O95835 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
Trifluoroacetic Acid SCHEMBL20510360 0.87 TMEM97 (0.39) TMEM97OPRM1OPRL1ALDH1A1CYP3A4
SCHEMBL1631742 0.75 ADRB1 (0.58) MAPTLATS1
SCHEMBL30040793 0.75 ADRB1 (0.58) MAPTLATS1
SCHEMBL21667712 0.72 CYP2C9 (0.54) ALDH1A1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL25584599 0.72 MAPT (0.47) TMEM97MAPTROCK1CDC42BPBROCK2
SCHEMBL21667850 0.71 CHRNB2 (0.53) TMEM97ROCK1CDC42BPBROCK2
SCHEMBL16536746 0.70 MAPT (0.50) MAPTROCK1CDC42BPBROCK2ALDH1A1
SCHEMBL10642814 0.70 MAPT (0.48) MAPTROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29367992 0.70 MAPT (0.50) MAPTROCK1CDC42BPBROCK2ALDH1A1
SCHEMBL20510296 0.70 GPR119 (0.52) TMEM97

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 TMEM97 2/4885OPRM1 3/4885OPRL1 4/4885
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 TMEM97 2/4885OPRM1 5/4885OPRL1 3/4885
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 TMEM97 2/4885OPRM1 5/4885OPRL1 3/4885
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 TMEM97 2/4885OPRM1 3/4885OPRL1 4/4885

“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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