SCHEMBL12758920

SCHEMBL12758920

Cc1cc(N2CC3(CNC3)C2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.42
▸ UHRF1 Q96T88 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RXRA P19793 1/20 0.34

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 SCHEMBL20510487 0.87 MAPK1 (0.39) TMEM97MAPK1HRH3HSD17B10CYP3A4
SCHEMBL12758905 0.82 TMEM97 (0.48) TMEM97UHRF1LRRK2MAPK1ALDH1A1
SCHEMBL20468944 0.82 ALDH1A1 (0.49) LRRK2MAPK1ALDH1A1CYP2D6HSD17B10
SCHEMBL21434121 0.81 EIF2AK4 (0.37) MAPK1HRH3ALDH1A1CYP2D6HSD17B10
SCHEMBL20510785 0.80 TMEM97 (0.38) TMEM97LRRK2CDK4CCND1CDK6
SCHEMBL21590389 0.78 AR (0.34) MAPK1HRH3CDK4CCND1CDK6
SCHEMBL13131256 0.78 SLC6A2 (0.44) MAPK1HRH3ALDH1A1CYP2D6HSD17B10
SCHEMBL12758917 0.77 CYP17A1 (0.38) MAPK1HRH3CDK4CCND1CDK6
Hydrochloric Acid SCHEMBL2816087 0.77 SLC6A2 (0.44) MAPK1HRH3ALDH1A1CYP2D6HSD17B10
SCHEMBL21667712 0.75 CYP2C9 (0.54) MAPK1ALDH1A1CYP2D6HSD17B10CYP3A4

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 9 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
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 — — EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 — — US disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 — — US disclosed
WO-2009154132-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE 萬有製薬株式会社 (JP) 2009-12-23 — — 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 (5 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 TMEM97 535/4885UHRF1 4009/4885LRRK2 103/4885
US-10961249-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 TMEM97 2/4885UHRF1 3302/4885LRRK2 2729/4885
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 TMEM97 2/4885UHRF1 3480/4885LRRK2 2625/4885
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 TMEM97 2/4885UHRF1 3480/4885LRRK2 2625/4885
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 TMEM97 2/4885UHRF1 3302/4885LRRK2 2729/4885

“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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