SCHEMBL3684227

SCHEMBL3684227

O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ncccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
HTR1A P08908 3/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 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 SCHEMBL3680042 0.99 DRD2 (0.51) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7473725 0.91 DRD2 (0.47) DRD2HTR1ADRD4HTR2AHTR2C
Piclozotan SCHEMBL562627 0.91 SIGMAR1 (0.54) DRD2HTR1ADRD4HTR2AHTR2C
Piclozotan SCHEMBL29379540 0.91 SIGMAR1 (0.54) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7467038 0.91 DRD2 (0.48) DRD2HTR1A
SCHEMBL7470319 0.91 DRD2 (0.50) DRD2HTR1A
Piclozotan SCHEMBL30249060 0.91 SIGMAR1 (0.54) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL3675794 0.90 DRD2 (0.45) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7471246 0.90 SIGMAR1 (0.53) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7472342 0.90 DRD2 (0.49) DRD2HTR1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204202-A1 DRUG FOR ALLEVIATING MOTOR COMPLICATIONS OR PSYCHIATRIC SYMPTOMS OF PARKINSON'S DISEASE ASUBIO PHARMA CO., LTD. (JP) 2010-08-12 US disclosed
EP-2213290-A1 AGENT FOR IMPROVING MOTOR COMPLICATIONS OR PSYCHIATRIC SYMPTOMS IN PARKINSON'S DISEASE Asubio Pharma Co., Ltd. (JP) 2010-08-04 EP 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-0925288-B1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LTD (JP) 2002-09-25 EP disclosed
EP-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP 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 (2 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A DRD2 242/4885HTR1A 7/4885DRD4 301/4885
US-20100204202-A1 DRUG FOR ALLEVIATING MOTOR COMPLICATIONS OR PSYCHIATRIC SYMPTOMS OF PARKINSON'S DISEASE SLC6A3, HTR3A, PARK7 DRD2 8/4885HTR1A 4/4885DRD4 25/4885

“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.