SCHEMBL62692

SCHEMBL62692

CCCNC1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
ALDH1A1 P00352 3/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ACHE P22303 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR6 P50406 1/20 0.53
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.51
HTR1A P08908 1/20 0.50
PRMT5 O14744 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL19289840 1.00 HTT (0.64) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL62691 1.00 HTT (0.64) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL172262 0.90 MAOA (0.64) HTTMAOAMAOBBCHEADRA2B
SCHEMBL13911216 0.90 MAOA (0.64) HTTMAOAMAOBBCHEADRA2B
SCHEMBL8517647 0.89 HTT (0.56) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL1327511 0.87 HTT (0.56) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL14930299 0.87 HTT (0.56) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL1327514 0.87 HTT (0.56) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL7780082 0.86 ALDH1A1 (0.54) HTTALDH1A1MAOAMAOBBCHE
SCHEMBL18995758 0.85 ALDH1A1 (0.60) HTTALDH1A1MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024234014-A1 SUBLINGUAL SPRAY FORMULATIONS OF PSYCHEDELICS SPIRITUS BIOSCIENCE, INC. (US) 2024-11-14 WO disclosed
US-20240122895-A1 ENTACTOGEN-ASSISTED THERAPY FOR ALCOHOL USE DISORDER AND ADDICTION-RELATED CONDITIONS AND COMORBIDITIES AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2024-04-18 US disclosed
WO-2024020572-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PTSD NEW YORK STEM CELL FOUNDATION, INC. (US) 2024-01-25 WO disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 EP disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
EP-1745024-B1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NOVARTIS INT PHARM LTD (BM) 2012-04-25 EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
EP-0927184-A1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-07-07 EP disclosed
WO-1998011110-A1 3-SUBSTITUTED PYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed
US-5690906-A TETRALIN DERIVATIVES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-11-25 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
EP-0697894-A4 DOPAMINE D-3 AND SEROTONIN (5-HT 1A?) RECEPTOR LIGANDS AND IMAGING AGENTS UNIV PENNSYLVANIA (US) 1996-05-01 EP disclosed
EP-0697894-A1 DOPAMINE D-3 AND SEROTONIN (5-HT 1A?) RECEPTOR LIGANDS AND IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-02-28 EP disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
WO-1994022495-A1 DOPAMINE D-3 AND SEROTONIN (5-HT1A) RECEPTOR LIGANDS AND IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-10-13 WO disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 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 (1 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 HTT 560/4885ALDH1A1 1903/4885MAOA 643/4885

“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.