SCHEMBL5705151

SCHEMBL5705151

O=C1c2ccccc2C(=O)N1CCCN1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
HTR6 P50406 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 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
SCHEMBL6133727 0.97 DRD2 (0.49) DRD2HTR6ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6134453 0.80 MAPT (0.53) DRD2HTR6ALDH1A1CYP1A2CYP3A4
SCHEMBL5937247 0.77 ADRA1D (0.52) DRD2ADRA1DADRA1AADRA1B
SCHEMBL6135265 0.76 DRD2 (0.49) DRD2HTR6ALDH1A1CYP1A2CYP3A4
SCHEMBL5705015 0.76 DRD2 (0.49) DRD2HTR6ALDH1A1CYP1A2CYP3A4
SCHEMBL5240385 0.75 SLC5A1 (0.52) DRD2HTR6ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6133263 0.74 HTR6 (0.49) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL3598394 0.73 SIGMAR1 (0.57) DRD2HTR6GAA
SCHEMBL6777121 0.73 DRD2 (0.62) DRD2HTR6
SCHEMBL3605157 0.73 SLC2A1 (0.53) DRD2HTR6ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 DRD2 2595/4885HTR6 1013/4885ALDH1A1 885/4885

“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.