SCHEMBL6772080

SCHEMBL6772080

c1cc2c(c(N3CCNCC3)c1)CCN2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.49
HTR6 P50406 4/20 0.49
HTR2A P28223 3/20 0.49
HTR1A P08908 3/20 0.49
DRD2 P14416 2/20 0.49
HTR7 P34969 2/20 0.49
HTR5A P47898 2/20 0.49
DRD3 P35462 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
MTOR P42345 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49

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 SCHEMBL17476286 0.98 LMNA (0.50) ADRB1HTR6HTR2AHTR1ADRD2
SCHEMBL13533073 0.90 DRD2 (0.55) ADRB1HTR6HTR2AHTR1ADRD2
SCHEMBL28241594 0.88 DRD2 (0.49) ADRB1HTR6HTR2AHTR1ADRD2
SCHEMBL21646391 0.86 DRD2 (0.48) ADRB1HTR6HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL28808104 0.85 DRD2 (0.47) HTR6HTR1ADRD2HTR2CKDM4E
SCHEMBL30659401 0.83 DRD2 (0.43) HTR6HTR1ADRD2DRD3ALDH1A1
SCHEMBL15311796 0.83 DRD2 (0.43) ADRB1HTR1ADRD2HSD17B10HTR2C
SCHEMBL30047448 0.83 DRD2 (0.43) ADRB1HTR1ADRD2HSD17B10HTR2C
SCHEMBL15311895 0.83 DRD2 (0.46) HTR6HTR2AHTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL23403776 0.82 DRD2 (0.43) ADRB1HTR1ADRD2HSD17B10HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
CN-1155567-C Antipsychotic indolyl derivatives 惠氏公司 2004-06-30 CN disclosed
US-6689792-B2 USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA AND RELATED PSYCHOTIC DISORDERS SUCH AS PARKINSON'S DISEASE AND ALZHEIMER'S DISEASE WYETH 2004-02-10 US disclosed
US-20020035112-A1 Antipsychotic indolyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-21 US disclosed
US-6310066-B1 1-(4-CHLORO-PHENOXY)-3-(4-(1H-INDOL-4-YL)-PIPERAZIN-1-YL)-PROPAN-2-OL FOR EXAMPLE AMERICAN HOME PRODUCTS CORP. 2001-10-30 US disclosed
CN-1307562-A Antipsychotic indolyl derivatives AMERICAN HOME PROD (US) 2001-08-08 CN disclosed
EP-1076647-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
WO-1999055672-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 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 (1 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-20020035112-A1 Antipsychotic indolyl derivatives DRD4, HTR4, DBH ADRB1 106/4885HTR6 30/4885HTR2A 55/4885

“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.