SCHEMBL268036

SCHEMBL268036

CC(N)Cc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
HTR2B P41595 1/20 1.00
TAAR1 Q96RJ0 4/20 0.57
SLC6A2 P23975 2/20 0.57
CYP2A6 P11509 2/20 0.57
MAOA P21397 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
CYP1A2 P05177 1/20 0.55
PNMT P11086 2/20 0.53

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
SCHEMBL17413319 1.00 HTR2A (1.00) HTR2AHTR2CHTR2BTAAR1SLC6A2
SCHEMBL31054190 1.00 HTR2A (1.00) HTR2AHTR2CHTR2BTAAR1SLC6A2
SCHEMBL31054149 1.00 HTR2A (1.00) HTR2AHTR2CHTR2BTAAR1SLC6A2
Hydrochloric Acid SCHEMBL5962875 0.98 HTR2A (0.96) HTR2AHTR2CHTR2BTAAR1SLC6A2
SCHEMBL23979286 0.94 HTR2A (0.89) HTR2AHTR2CHTR2BTAAR1SLC6A2
SCHEMBL17407614 0.85 HTR2A (0.73) HTR2AHTR2CHTR2BCYP2A6SIGMAR1
SCHEMBL3677922 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BCYP2A6SIGMAR1
SCHEMBL15131790 0.82 HTR2A (0.70) HTR2AHTR2CHTR2BTAAR1CYP2A6
SCHEMBL27827005 0.82 HTR2A (0.68) HTR2AHTR2CHTR2BTAAR1SLC6A2
SCHEMBL24548518 0.81 HTR2A (0.68) HTR2AHTR2CHTR2BCYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US claimed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP claimed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO claimed
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
EP-3455203-B1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RES TRIANGLE INST (US) 2021-09-22 EP disclosed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
US-20190225573-A1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RES TRIANGLE INST (US) 2019-07-25 US disclosed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP disclosed
WO-2017197101-A1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RESEARCH TRIANGLE INSTITUTE (US) 2017-11-16 WO disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO disclosed
US-7071225-B2 Arylaminopropane analogues and their use for the treatment of glaucoma ALCON, INC. (CH) 2006-07-04 US disclosed
CN-1512879-A Novel arylaminopropane analogues and their use for treatment of glaucoma �Ƹ��� 2004-07-14 CN disclosed
US-20040110791-A1 Novel arylaminopropane analogues and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-10 US disclosed
US-6346402-B1 ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS KANEKA CORPORATION (JP) 2002-02-12 US disclosed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 EP disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 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 (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-20190225573-A1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS SLC18A2, SLC6A2, SLC18A3 HTR2A 10/4885HTR2C 11/4885HTR2B 16/4885
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 HTR2A 4044/4885HTR2C 3776/4885HTR2B 2765/4885
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES BRCA1, VHL, TP53 HTR2A 3785/4885HTR2C 4143/4885HTR2B 4393/4885
US-20040110791-A1 Novel arylaminopropane analogues and their use for the treatment of glaucoma PDE3A, PDE2A, PDE3B HTR2A 1384/4885HTR2C 2209/4885HTR2B 1744/4885

“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.