SCHEMBL502401

SCHEMBL502401

CC(N)Oc1cccc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.52
HTR1A P08908 6/20 0.48
ADRB1 P08588 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB3 P13945 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3794323 0.86 HTR1B (0.55) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL7084585 0.83 HTR1B (0.52) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL8723087 0.83 HTR1A (0.55) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL3790955 0.80 HTR1B (0.54) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL15951727 0.80 HTR1A (0.51) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL13309274 0.79 HTR1B (0.52) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL7079421 0.79 HTR1B (0.52) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL15311730 0.79 TRPA1 (0.51) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL11551128 0.78 HTR1A (0.48) HTR1BHTR1AADRB1CYP1A2CYP3A4
SCHEMBL5851174 0.78 KMT2A (0.51) HTR1BHTR1AADRB1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219598-A Cyclohexane derivative and medical application thereof 上海京新生物医药有限公司 2024-12-31 CN disclosed
US-20120088792-A1 Pyridin-2-YL Methylamine Derivatives for Treating Opiate Dependence PIERRE FABRE MEDICAMENT (FR) 2012-04-12 US disclosed
US-8106074-B2 Pyridin-2-yl-methylamine derivatives for treating opiate dependence PIERRE FABRE MEDICAMENT (FR) 2012-01-31 US disclosed
US-20100099709-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES FOR TREATING OPIATE DEPENDENCE PIERRE FABRE MEDICAMENT (FR) 2010-04-22 US disclosed
EP-1406627-B1 PYRIDIN-2-YL-METHLYAMINE DERIVATIVES FOR TREATING OPIOID DEPENDENCE PF MEDICAMENT (FR) 2006-11-08 EP disclosed
US-20050065348-A1 Pyridin-2-yl-methylamine derivatives for treating opioid dependence PIERRE FABRE MEDICAMENT (FR) 2005-03-24 US disclosed
EP-1406627-A1 PYRIDIN-2-YL-METHLYAMINE DERIVATIVES FOR TREATING OPIOID DEPENDENCE PIERRE FABRE MEDICAMENT (FR) 2004-04-14 EP disclosed
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
EP-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP disclosed
WO-2003006020-A1 PYRIDIN-2-YL-METHLYAMINE DERIVATIVES FOR TREATING OPIOID DEPENDENCE PIERRE FABRE MEDICAMENT (FR) 2003-01-23 WO disclosed
EP-1187824-A2 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2002-03-20 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000058282-A2 NOVEL [(2-SUBSTITUTED-5 -[3-THIENYL) -BENZYL]-[2- ([2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2000-10-05 WO disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO disclosed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed
US-3906000-A Tricyclicazaindole derivatives PFIZER 1975-09-16 US disclosed
US-3898245-A Tricyclicazaindole derivatives PFIZER 1975-08-05 US 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-20120088792-A1 Pyridin-2-YL Methylamine Derivatives for Treating Opiate Dependence OPRK1, OPRM1, OPRD1 HTR1B 46/4885HTR1A 63/4885ADRB1 185/4885
US-20100099709-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES FOR TREATING OPIATE DEPENDENCE OPRM1, OPRK1, OPRD1 HTR1B 59/4885HTR1A 65/4885ADRB1 193/4885
US-20050065348-A1 Pyridin-2-yl-methylamine derivatives for treating opioid dependence OPRM1, OPRK1, OPRD1 HTR1B 51/4885HTR1A 59/4885ADRB1 164/4885

“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.