SCHEMBL19521562

SCHEMBL19521562

CN1CCN(c2cccc3c2CN(C(=O)OCc2ccccc2)CC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 10/20 1.00
▸ SIGMAR1 Q99720 10/20 1.00
▸ CXCR3 P49682 5/20 0.70
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ HRH2 P25021 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR1E P28566 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ PTGDR2 Q9Y5Y4 4/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL19537625 0.91 TMEM97 (0.83) TMEM97SIGMAR1CXCR3HTR1AADRA2A
SCHEMBL17114684 0.89 TMEM97 (0.80) TMEM97SIGMAR1CXCR3PTGDR2NPC1
SCHEMBL17114834 0.88 TMEM97 (0.79) TMEM97SIGMAR1CXCR3HTR1ASLC6A4
SCHEMBL19521511 0.87 TMEM97 (1.00) TMEM97SIGMAR1CXCR3HTR1AHRH2
SCHEMBL19521533 0.86 SIGMAR1 (1.00) TMEM97SIGMAR1CXCR3HTR1AADRA2A
SCHEMBL17114743 0.83 CXCR3 (1.00) TMEM97SIGMAR1CXCR3PTGDR2
SCHEMBL17114846 0.83 TMEM97 (0.71) TMEM97SIGMAR1CXCR3HTR1AADRA2A
SCHEMBL17114843 0.83 TMEM97 (0.71) TMEM97SIGMAR1CXCR3HTR1AADRA2A
SCHEMBL18729961 0.82 TMEM97 (0.69) TMEM97SIGMAR1CXCR3PTGDR2
SCHEMBL18729964 0.82 TMEM97 (0.69) TMEM97SIGMAR1CXCR3PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300903-A1 SIGMA RECEPTOR BINDERS UNIV TEXAS (US) 2021-09-30 — — US disclosed
US-20210300903-A1 SIGMA RECEPTOR BINDERS UNIV TEXAS (US) 2021-09-30 — — US disclosed
US-10954217-B2 Sigma receptor binders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-23 — — US disclosed
US-10954217-B2 Sigma receptor binders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-23 — — US disclosed
US-20190177301-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 — — US disclosed
US-20190177301-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 — — US disclosed
WO-2017190109-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 — — WO disclosed
WO-2017190109-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 — — 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 (3 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-10954217-B2 Sigma receptor binders SIGMAR1, OPRK1, OPRL1 TMEM97 6/4885SIGMAR1 1/4885CXCR3 393/4885
US-20190177301-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 TMEM97 6/4885SIGMAR1 1/4885CXCR3 393/4885
US-20210300903-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 TMEM97 6/4885SIGMAR1 1/4885CXCR3 393/4885

“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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