SCHEMBL21667804

SCHEMBL21667804

N#Cc1ccccc1N1CC2CNCC2C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.53
GRM1 Q13255 2/20 0.49
CHRNA7 P36544 5/20 0.44
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
HTR7 P34969 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
GRM5 P41594 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL20511262 0.98 BPTF (0.51) BPTFGRM1CHRNA7CHRNB2CHRNA4
SCHEMBL20140205 0.77 GRM1 (0.47) GRM1CHRNB4CHRNA3HTR7TMEM97
SCHEMBL30619380 0.77 GRM1 (0.49) GRM1HTR7TMEM97DRD4DRD2
SCHEMBL27488325 0.77 GRM1 (0.49) GRM1HTR7TMEM97DRD4DRD2
SCHEMBL20129652 0.77 GRM1 (0.46) GRM1HTR7TMEM97DRD4DRD2
SCHEMBL20139200 0.76 GRM1 (0.43) GRM1CHRNB2CHRNA4HTR7TMEM97
SCHEMBL20157461 0.76 GHSR (0.44) GRM1HTR7TMEM97DRD4GRM5
SCHEMBL18452919 0.75 HRH3 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3DRD2
SCHEMBL14704616 0.75 ADRB1 (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL22720929 0.75 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4

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 7 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-11807642-B2 5-hydroxytryptamine receptor 7 modulators and their use as therapeutic agents Temple University—Of the Commonwealth System of Higher Education (US) 2023-11-07 US disclosed
US-11220505-B2 5-hydroxytryptamine receptor 7 modulators and their use as therapeutic agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-11 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-20200331915-A1 5-HYDROXYTRYPTAMINE RECEPTOR 7 MODULATORS AND THEIR USE AS THERAPEUTIC AGENTS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-10-22 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 (7 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 BPTF 3839/4885GRM1 227/4885CHRNA7 161/4885
US-20200331915-A1 5-HYDROXYTRYPTAMINE RECEPTOR 7 MODULATORS AND THEIR USE AS THERAPEUTIC AGENTS HTR7, HTR6, HTR5A BPTF 2548/4885GRM1 124/4885CHRNA7 64/4885
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 BPTF 3853/4885GRM1 198/4885CHRNA7 148/4885
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 BPTF 3853/4885GRM1 198/4885CHRNA7 148/4885
US-11807642-B2 5-hydroxytryptamine receptor 7 modulators and their use as therapeutic agents HTR7, HTR6, HTR5A BPTF 2548/4885GRM1 124/4885CHRNA7 64/4885
US-11220505-B2 5-hydroxytryptamine receptor 7 modulators and their use as therapeutic agents HTR7, HTR6, HTR5A BPTF 2548/4885GRM1 124/4885CHRNA7 64/4885
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 BPTF 3839/4885GRM1 227/4885CHRNA7 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.