SCHEMBL19852495

SCHEMBL19852495

c1ccc([C@@H]2COC3(CCN(C[C@H]4CCc5ccccc54)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
HTR1A P08908 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HSD11B1 P28845 1/20 0.35
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
CCR5 P51681 2/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL21071454 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL21071634 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL19838621 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL21071570 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL21071569 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL21071451 1.00 SIGMAR1 (0.41) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL19852237 0.89 HTR2A (0.37) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL19852487 0.85 HTR2A (0.33) SIGMAR1TMEM97HTR2AHTR2CHRH1
SCHEMBL19852493 0.83 OPRL1 (0.39) SIGMAR1HTR1AOPRM1OPRL1HSD11B1
SCHEMBL19852490 0.83 OPRL1 (0.39) SIGMAR1HTR1AOPRM1OPRL1HSD11B1

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-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C SIGMAR1 612/4885TMEM97 824/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885TMEM97 824/4885HTR2A 2/4885

“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.