SCHEMBL3045846

SCHEMBL3045846

c1ccc2c3c([nH]c2c1)CCNCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
KDM4E B2RXH2 5/20 0.77
NR2E1 Q9Y466 2/20 0.77
HTR5A P47898 1/20 0.77
NISCH Q9Y2I1 1/20 0.77
TAAR1 Q96RJ0 1/20 0.74
CHRNA7 P36544 1/20 0.51
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PARP1 P09874 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46

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
SCHEMBL29736160 1.00 HTR2A (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL11845764 0.90 HTR2A (0.81) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL11839582 0.88 HTR2A (0.78) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL28477910 0.87 NISCH (0.93) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL171755 0.87 NISCH (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL29350043 0.87 NISCH (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL12190178 0.87 NISCH (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL9754749 0.87 NISCH (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
Tryptoline SCHEMBL9480983 0.87 NISCH (1.00) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL169954 0.87 TAAR1 (0.96) HTR2AHTR2CKDM4ENR2E1HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61263978-A None JP disclosed
US-20260138985-A1 Azepino-Indoles for the Treatment of Neurological and Psychiatric Disorders TERRAN BIOSCIENCES INC (US) 2026-05-21 US disclosed
US-20250235463-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-07-24 US disclosed
US-12295959-B2 Phenoxy and benzyloxy substituted psychoplastogens and uses thereof DELIX THERAPEUTICS, INC. (US) 2025-05-13 US disclosed
EP-4448531-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2024-10-23 EP disclosed
EP-4448532-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2024-10-23 EP disclosed
EP-4288048-A1 OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS The Trustees Of Columbia University In The City Of New York (US) 2023-12-13 EP disclosed
WO-2023114313-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114320-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114320-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-5616575-A COCAINE ADDICTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-04-01 US disclosed
EP-0466548-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indole and 1,2,3,4-tetrahydro-beta-carbolines, processes for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-01-15 EP disclosed
EP-0203902-A3 1,2,3,4,5,6-Hexahydro-azepino[4,5-b] indole derivatives, their preparation, intermediate compounds and their therapeutical use OMNICHEM Société anonyme (BE) 1988-05-18 EP disclosed
US-4719208-A 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics OMNICHEM SOCIETE ANONYME (BE) 1988-01-12 US disclosed
US-4719208-A 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics OMNICHEM SOCIETE ANONYME (BE) 1988-01-12 US disclosed
EP-0203902-A2 1,2,3,4,5,6-Hexahydro-azepino[4,5-b] indole derivatives, their preparation, intermediate compounds and their therapeutical use OMNICHEM Société anonyme (BE) 1986-12-03 EP disclosed
JP-S61263978-A 1,2,3,4,5,6-HEXAHYDROAZEPINO(4,5-B) INDOLE DERIVATIVE, ITS PRODUCTION,INTERMEDIATE COMPOUND AND APPLICATION THEREOF IN TREATMENT OMNICHEM SA 1986-11-21 JP disclosed
EP-0028381-B1 AZEPINOINDOLES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1985-04-10 EP disclosed
EP-0011057-A1 Process for the preparation of vincadifformine and derivatives thereof, intermediates obtained during this process and process for their preparation OMNICHEM Société anonyme (BE) 1980-05-14 EP disclosed
US-3839357-A 1,2,3,4,5,6-HEXAHYDROAZEPINO(4,5-B)INDOLES UPJOHN CO 1974-10-01 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-20260138985-A1 Azepino-Indoles for the Treatment of Neurological and Psychiatric Disorders TPH2, TPH1, HTR1D HTR2A 5/4885HTR2C 4/4885KDM4E 283/4885
US-12295959-B2 Phenoxy and benzyloxy substituted psychoplastogens and uses thereof GAP43, BDNF, GRIN2A HTR2A 80/4885HTR2C 88/4885KDM4E 1289/4885
US-20250235463-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, GRIN2A HTR2A 80/4885HTR2C 88/4885KDM4E 1289/4885

“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.