SCHEMBL6775978

SCHEMBL6775978

O=C1Cc2c(cccc2N2CCNCC2)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
DRD3 P35462 5/20 0.61
DRD4 P21917 2/20 0.61
ADRB1 P08588 4/20 0.45
HTR1A P08908 3/20 0.45
HTR2A P28223 3/20 0.45
HTR6 P50406 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR7 P34969 1/20 0.45
MTOR P42345 1/20 0.45
HTR3A P46098 1/20 0.45
HTR5A P47898 1/20 0.45

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
SCHEMBL6775975 1.00 DRD2 (0.61) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL11194827 0.86 DRD2 (0.49) DRD2DRD3DRD4ADRB1HTR1A
Bromide SCHEMBL11196359 0.85 DRD2 (0.48) DRD2DRD3DRD4ADRB1HTR1A
Hydrochloric Acid SCHEMBL11196563 0.84 DRD2 (0.47) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL20129632 0.75 AHR (0.50) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL252278 0.75 DRD2 (0.60) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL13244108 0.74 CRBN (0.53) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5363477 0.73 HTR6 (0.49) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL6772080 0.72 ADRB1 (0.49) DRD2DRD3ADRB1HTR1AHTR2A
SCHEMBL6888226 0.72 CES1 (0.47) DRD2DRD3DRD4ADRB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DRD2 12/4885DRD3 7/4885DRD4 1/4885

“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.