SCHEMBL8976958

SCHEMBL8976958

CN[C@H](C)Cc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.63
SLC18A2 Q05940 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
SLC6A4 P31645 3/20 0.60
TRPA1 O75762 1/20 0.52
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR1B P28222 3/20 0.46

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
SCHEMBL178552 1.00 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4TRPA1
Hydrochloric Acid SCHEMBL23524437 0.98 TAAR1 (0.61) TAAR1SLC18A2SIGMAR1SLC6A4TRPA1
Cadaverine Tartrate SCHEMBL9773333 0.83 TAAR1 (0.50) TAAR1SLC18A2SIGMAR1SLC6A4TRPA1
SCHEMBL16356133 0.83 TRPA1 (0.52) TAAR1SLC18A2SIGMAR1SLC6A4TRPA1
SCHEMBL10076448 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL178625 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL765297 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL4680337 0.79 SIGMAR1 (0.66) SIGMAR1SLC6A4TRPA1CYP2D6
SCHEMBL178533 0.78 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL7316113 0.78 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2022-03-01 US disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-10584103-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-10 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2018-11-06 US disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
EP-3160961-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2017-05-03 EP disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
US-5589513-A TREATMENT OF NEURODEGENERATIVE DISEASES; MONOAMINE OXIDASE INHIBITOR AND UPTAKE INHIBITOR CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1996-12-31 US disclosed
EP-0617615-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1994-10-05 EP disclosed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 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 (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-10584103-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885SLC18A2 209/4885SIGMAR1 158/4885

“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.