SCHEMBL169954

SCHEMBL169954

c1ccc2c3c([nH]c2c1)CCNC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.96
HTR2A P28223 1/20 0.77
HTR2C P28335 1/20 0.77
KDM4E B2RXH2 3/20 0.74
NR2E1 Q9Y466 2/20 0.74
HTR5A P47898 1/20 0.74
NISCH Q9Y2I1 1/20 0.74
PARP1 P09874 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.55
RAD52 P43351 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29466239 1.00 TAAR1 (0.96) TAAR1HTR2AHTR2CKDM4ENR2E1
Hydrochloric Acid SCHEMBL30741597 0.98 TAAR1 (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Hydrochloric Acid SCHEMBL2243782 0.98 TAAR1 (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL620253 0.89 TAAR1 (0.78) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL3045846 0.87 HTR2A (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL29736160 0.87 HTR2A (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL2979137 0.86 TAAR1 (0.73) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL12190178 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL171755 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL29350043 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235434-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2025-07-24 US claimed
EP-4508053-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2025-02-19 EP claimed
WO-2023198597-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-10-19 WO claimed
EP-2145887-B1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2016-04-27 EP claimed
WO-2011139242-A2 PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE DERIVATIVES USTAV EXPIREMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) 2011-11-10 WO claimed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US claimed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP claimed
EP-2145887-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-01-20 EP claimed
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 EP claimed
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP claimed
US-20070117835-A1 Methods and compositions for treating Huntington's disease MEDIVATION NEUROLOGY, INC. 2007-05-24 US claimed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO claimed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 WO claimed
EP-1015451-B1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-06-18 EP claimed
US-20020103209-A1 Tetrahydro gamma-carbolines KENNIS LUDO EDMOND JOSEPHINE (BE) 2002-08-01 US claimed
US-6303614-B1 FOR THERAPY PSYCHOTIC DISORDER SELECTED FROM DEPRESSION, ANXIETY OR PSYCHOSIS JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-16 US claimed
EP-1015451-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-05 EP claimed
EP-0905136-A1 Tetrahydro gamma-carbolines JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-31 EP claimed
WO-1999012926-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-18 WO claimed
US-4174453-A HYDROGENATION, ACIDFICATION ENDO LABORATORIES, INC. (US) 1979-11-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20250235434-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE RIF1, FNTB, Q6ZSR9 TAAR1 4264/4885HTR2A 4372/4885HTR2C 4784/4885
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 TAAR1 83/4885HTR2A 51/4885HTR2C 10/4885
US-20070117835-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 TAAR1 2883/4885HTR2A 80/4885HTR2C 82/4885
US-20020103209-A1 Tetrahydro gamma-carbolines OPRD1, CYP1B1, CBR1 TAAR1 943/4885HTR2A 444/4885HTR2C 94/4885

“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.