SCHEMBL6777581

SCHEMBL6777581

OC(COc1ccccc1-c1ccccc1)CN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB3 P13945 1/20 0.53
MAPT P10636 7/20 0.52
MAPK1 P28482 3/20 0.52
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR1A P08908 11/20 0.52
SLC6A4 P31645 4/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
DRD4 P21917 1/20 0.52
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HIF1A Q16665 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NR1I2 O75469 1/20 0.52
NR3C1 P04150 1/20 0.52

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
SCHEMBL6772142 0.89 MAPT (0.59) ADRB1ADRB2ADRB3MAPTMAPK1
SCHEMBL6778522 0.86 MAPT (0.65) ADRB1MAPTMAPK1KDM4ENPSR1
Hydrochloric Acid SCHEMBL7885529 0.83 MAPT (0.67) ADRB1ADRB2ADRB3MAPTMAPK1
SCHEMBL8433535 0.82 SCN9A (0.56) ADRB1ADRB2ADRB3MAPTMAPK1
Hydrochloric Acid SCHEMBL7887645 0.82 MAPT (0.73) ADRB1MAPTMAPK1KDM4EHTR1A
Hydrochloric Acid SCHEMBL7885717 0.82 MAPT (0.73) ADRB1MAPTMAPK1KDM4EHTR1A
SCHEMBL6776715 0.81 CACNA1G (0.57) MAPTLMNAMEN1KMT2AKCNH2
SCHEMBL7881247 0.80 MAPT (0.54) ADRB1ADRB2ADRB3MAPTMAPK1
SCHEMBL7883003 0.80 ABCB1 (0.65) ADRB1MAPTMAPK1KDM4EHTR1A
SCHEMBL7883018 0.79 HTR1A (0.55) ADRB1ADRB2ADRB3MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035112-A1 Antipsychotic indolyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-21 US claimed
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 claimed
EP-1076647-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP claimed
WO-1999055672-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO claimed
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

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 106/4885ADRB2 98/4885ADRB3 50/4885

“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.