SCHEMBL6304993

SCHEMBL6304993

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(Sc2ccc(C(F)(F)F)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.55
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
F2R P25116 1/20 0.34
SLC6A5 Q9Y345 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HTR2A P28223 1/20 0.34
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
PAK1 Q13153 1/20 0.33

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
SCHEMBL6304988 1.00 CHRNA7 (0.55) CHRNA7DRD4DRD2F2RSLC6A5
SCHEMBL6304939 0.95 CHRNA7 (0.48) CHRNA7DRD4DRD2F2RSLC6A5
SCHEMBL6305689 0.85 CHRNA7 (0.58) CHRNA7DRD4DRD2
SCHEMBL6305687 0.85 CHRNA7 (0.58) CHRNA7DRD4DRD2
SCHEMBL6310545 0.85 CHRNA7 (0.65) CHRNA7DRD4DRD2
SCHEMBL6310552 0.85 CHRNA7 (0.65) CHRNA7DRD4DRD2
SCHEMBL6303461 0.83 CHRNA7 (0.56) CHRNA7
SCHEMBL6880095 0.82 CHRNA7 (0.63) CHRNA7
SCHEMBL6305383 0.80 CHRNA7 (0.55) CHRNA7SLC6A5
SCHEMBL6305378 0.80 CHRNA7 (0.55) CHRNA7SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885DRD4 3850/4885DRD2 3977/4885

“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.