SCHEMBL1969237

SCHEMBL1969237

CN(CCc1c[nH]c2ccccc12)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.68
HTR1A P08908 4/20 0.68
HTR2C P28335 4/20 0.68
HTR2B P41595 3/20 0.68
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
BCHE P06276 5/20 0.61
HTR6 P50406 4/20 0.60
SLC6A4 P31645 3/20 0.60
ACHE P22303 2/20 0.55
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR1B P28222 2/20 0.54
HTR7 P34969 2/20 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
SCHEMBL5165585 0.85 OPRL1 (0.69) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL24243697 0.85 HTR2A (0.62) HTR2AHTR1AHTR2CHTR2BALDH1A1
Hydrochloric Acid SCHEMBL5165988 0.84 OPRL1 (0.69) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL24243744 0.83 HTR1A (0.65) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL24243750 0.82 HTR2A (0.63) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL24243773 0.82 HTR1A (0.58) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL1976171 0.82 HTR1D (0.57) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL1971952 0.82 HTR2A (0.57) HTR2AHTR1AHTR2CHTR2BALDH1A1
SCHEMBL4035596 0.81 HTR2A (0.76) HTR2AHTR1AHTR2CHTR2BALDH1A1
N,N-Dimethyltryptamine SCHEMBL335710 0.81 HTR2A (1.00) HTR2AHTR1AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183613-A2 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR INFLAMMATION TACTOGEN INC (US) 2023-09-28 WO disclosed
US-20220041551-A1 METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-02-10 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20220041551-A1 METHODS OF TREATING MOOD DISORDERS GRIN2C, GRIN2A, TPH2 HTR2A 5/4885HTR1A 23/4885HTR2C 4/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR2A 46/4885HTR1A 56/4885HTR2C 80/4885

“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.