SCHEMBL3366478

SCHEMBL3366478

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
TMEM97 Q5BJF2 3/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
SLC6A12 P48065 2/20 0.77
MCHR1 Q99705 1/20 0.77
KCNH2 Q12809 1/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
DRD4 P21917 3/20 0.70
SLC6A13 Q9NSD5 1/20 0.70
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PRKAB2 O43741 1/20 0.69
PRKAG1 P54619 1/20 0.69

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
SCHEMBL8236258 0.93 TMEM97 (0.86) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL2900269 0.93 TMEM97 (0.86) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL61848 0.91 TMEM97 (0.83) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL694949 0.91 SIGMAR1 (0.82) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL2233466 0.88 KCNH2 (0.80) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL7218186 0.88 DRD4 (0.86) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL8274001 0.87 MEN1 (0.78) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL2233461 0.87 TMEM97 (0.77) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL7224869 0.87 SIGMAR1 (0.77) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6
SCHEMBL1425074 0.87 SIGMAR1 (1.00) SIGMAR1TMEM97CYP1A2CYP3A4CYP2D6

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142703-B1 COMPOUND AND COMPOSITION FOR INDUCING NEUROPROTECTION REST THERAPEUTICS (FR) 2023-10-18 EP claimed
US-20230270695-A1 COMPOUND AND COMPOSITION FOR INDUCING NEUROPROTECTION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-08-31 US claimed
US-20230263797-A1 Mammalian Hybrid Pre-Autophagosomal Structure HyPAS and Compositions and Methods for the Treatment of Coronavirus Infections and Related Disease States UNM RAINFOREST INNOVATIONS (US) 2023-08-24 US claimed
EP-4142703-A1 COMPOUND AND COMPOSITION FOR INDUCING NEUROPROTECTION REST THERAPEUTICS (FR) 2023-03-08 EP claimed
WO-2021234324-A1 COMPOUND AND COMPOSITION FOR INDUCING NEUROPROTECTION REST THERAPEUTICS (FR) 2021-11-25 WO claimed
EP-3104847-B1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TAMOGATOTT KUTATOCSOPORTOK IRODAJA (HU) 2020-11-11 EP claimed
EP-3104847-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS Mta Támogatott Kutatócsoportok Irodája (HU) 2016-12-21 EP claimed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US claimed
WO-2015118365-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2015-08-13 WO claimed
US-6517811-B2 Diagnosing a mammal for presence of a tumor by administering compounds such as 125-I-(2-piperidinylaminoethyl)-4-iodobenzamide which have an affinity for cell surface sigma receptors RESEARCH CORPORATION TECHNOLOGIES, INC. 2003-02-11 US claimed
US-12611387-B2 Compound and composition for inducing neuroprotection REST THERAPEUTICS (FR) 2026-04-28 US disclosed
EP-4176869-B1 PREPARATION AND USE OF CANNABIS NANO-FORMULATION APURANO PHARMACEUTICALS GMBH (DE) 2026-04-08 EP disclosed
EP-4523686-A1 A SIGMA-1 RECEPTOR POSITIVE MODULATOR FOR ITS USE IN THE PREVENTION AND THE TREATMENT OF A PATHOLOGY UNIVERSITE DE MONTPELLIER (FR) 2025-03-19 EP disclosed
US-12239125-B2 Compositions for organ preservation SigmaDrugs Kutató Korlátolt Felelsség Társaság (HU) 2025-03-04 US disclosed
US-12208127-B2 Preparation and use of cannabis nano-formulation APURANO PHARMACEUTICALS GMBH (DE) 2025-01-28 US disclosed
US-5993777-A Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-11-30 US disclosed
US-5919934-A BISAMINOTHIOL AND AMINO COMPOUNDS WITH APPENDED PHARMACOPHORES, METAL COMPLEXES OF THESE COMPOUNDS; THE GEORGE WASHINGTON UNIVERSITY (US) 1999-07-06 US disclosed
US-5911970-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-06-15 US disclosed
EP-0821594-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1998-02-04 EP disclosed
WO-1996032968-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1996-10-24 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-20230270695-A1 COMPOUND AND COMPOSITION FOR INDUCING NEUROPROTECTION BDNF, GAP43, NLN SIGMAR1 1214/4885TMEM97 1922/4885CYP1A2 4080/4885
US-20230263797-A1 Mammalian Hybrid Pre-Autophagosomal Structure HyPAS and Compositions and Methods for the Treatment of Coronavirus Infections and Related Disease States SARS1, SQSTM1, ATG4A SIGMAR1 2480/4885TMEM97 655/4885CYP1A2 4798/4885
US-12611387-B2 Compound and composition for inducing neuroprotection GAP43, BDNF, NEFM SIGMAR1 58/4885TMEM97 67/4885CYP1A2 2314/4885
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TMEM97 2/4885CYP1A2 896/4885
US-12239125-B2 Compositions for organ preservation SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TMEM97 2/4885CYP1A2 285/4885

“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.