SCHEMBL7843782

SCHEMBL7843782

NCCc1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.65
TRPM8 Q7Z2W7 4/20 0.65
HTR1D P28221 7/20 0.56
HTR1A P08908 6/20 0.56
HTR2C P28335 5/20 0.56
HTR1B P28222 5/20 0.56
CYP1A2 P05177 3/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
HTR2B P41595 2/20 0.56
MPO P05164 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
TSHR P16473 2/20 0.56
HTR4 Q13639 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD1 P21728 1/20 0.56

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
SCHEMBL30022336 1.00 HTR2A (0.65) HTR2ATRPM8HTR1DHTR1AHTR2C
Hydrochloric Acid SCHEMBL7681061 0.98 HTR2A (0.63) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL25425428 0.88 GPR84 (0.63) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL2535076 0.88 GPR84 (0.73) HTR2ATRPM8HTR1DHTR1AHTR2C
Hydrochloric Acid SCHEMBL2538417 0.86 GPR84 (0.61) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL893023 0.86 HTR2A (0.58) HTR2ATRPM8HTR1DHTR1AHTR2C
Hydrochloric Acid SCHEMBL21546055 0.86 GPR84 (0.71) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL14907363 0.86 HTR2C (0.62) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL8808151 0.83 GPR84 (0.51) HTR2ATRPM8HTR1DHTR1AHTR2C
SCHEMBL2540560 0.82 CYP1A2 (0.63) HTR2ATRPM8HTR1DHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391926-A1 SPIROINDOLINONE COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC 2024-11-28 US disclosed
EP-4351569-A2 SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2024-04-17 EP disclosed
CN-117597120-A Spiroindolone compounds as Kv1.3 potassium Shaker channel blockers D·E·萧尔研究有限责任公司 2024-02-23 CN disclosed
US-20220403428-A1 YEAST CELLS AND METHODS FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES DANMARKS TEKNISKE UNIVERSITET (DK) 2022-12-22 US disclosed
WO-2022251561-A2 SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-12-01 WO disclosed
WO-2022251561-A2 SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-12-01 WO disclosed
EP-4031671-A1 YEAST CELLS AND METHODS FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES Danmarks Tekniske Universitet (DK) 2022-07-27 EP disclosed
WO-2021052989-A1 YEAST CELLS AND METHODS FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES DANMARKS TEKNISKE UNIVERSITET (DK) 2021-03-25 WO disclosed
EP-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 EP disclosed
EP-2651887-B1 N-(2-(5-substituted-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide derivatives and related compounds as Tau-aggregation induced toxicity inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2016-08-24 EP disclosed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US disclosed
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 US disclosed
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 US disclosed
EP-2651887-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 US disclosed
WO-2012080220-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP 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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 HTR2A 1488/4885TRPM8 1909/4885HTR1D 801/4885
US-20240391926-A1 SPIROINDOLINONE COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNK3, KCNJ2, KCND3 HTR2A 1749/4885TRPM8 92/4885HTR1D 764/4885
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 HTR2A 1282/4885TRPM8 1867/4885HTR1D 808/4885

“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.