SCHEMBL3605711

SCHEMBL3605711

c1cc2c(c(N3CCNCC3)c1)OCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.65
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
DRD3 P35462 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
DRD1 P21728 1/20 0.53
HTR6 P50406 8/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 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
Hydrochloric Acid SCHEMBL5223815 0.98 ADRB1 (0.63) ADRB1DRD2HTR2ADRD3SIGMAR1
Hydrochloric Acid SCHEMBL5365168 0.98 ADRB1 (0.63) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL3610680 0.94 ADRB1 (0.58) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL3615477 0.91 ADRB1 (0.61) ADRB1DRD2HTR2ADRD3SIGMAR1
Hydrochloric Acid SCHEMBL5362928 0.89 ADRB1 (0.60) ADRB1DRD2HTR2ADRD3SIGMAR1
Hydrochloric Acid SCHEMBL5218353 0.89 ADRB1 (0.60) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL4948654 0.89 ADRB1 (0.60) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL3605703 0.87 ADRB1 (0.57) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL8912824 0.83 ADRA1D (0.50) ADRB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9049827 0.82 DRD2 (0.54) DRD2HTR2ADRD3DRD1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed
US-6140331-A FOR TREATING ANXIETY DISORDERS, DEPRESSION, PSYCHOSIS, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, ISCHAEMIC DISEASES, CARDIOVASCULAR DISORDERS, SIDE EFFECTS INDUCED BY CONVENTIONAL ANTIPSYCHOTIC AGENTS AND SENILE DEMENTIA H. LUNDBECK A/S (DK) 2000-10-31 US disclosed
EP-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP disclosed
US-5753661-A TREATMENT OF NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 1998-05-19 US disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 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 (5 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 ADRB1 370/4885DRD2 123/4885HTR2A 24/4885
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 ADRB1 10/4885DRD2 327/4885HTR2A 57/4885
US-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E ADRB1 28/4885DRD2 163/4885HTR2A 8/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A ADRB1 456/4885DRD2 242/4885HTR2A 5/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ADRB1 28/4885DRD2 85/4885HTR2A 8/4885

“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.