SCHEMBL6444050

SCHEMBL6444050

O=C(N[C@@H]1C[C@H]2CCCCCCCCCCCN(CC2)C1)c1ccc(Sc2ncc(Cl)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.48
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6305702 0.94 CHRNA7 (0.54) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305945 0.90 CHRNA7 (0.61) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305943 0.90 CHRNA7 (0.61) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305719 0.81 CHRNA7 (0.47) CHRNA7KMT2A
SCHEMBL6310569 0.81 CHRNA7 (0.46) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6883601 0.80 CHRNA7 (0.63) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303420 0.80 CHRNA7 (0.57) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6306564 0.79 CHRNA7 (0.58) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6306939 0.78 CHRNA7 (0.56) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310327 0.77 CHRNA7 (0.75) CHRNA7HTR3EHTR3BALOX15TSHR

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 2 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 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 2937/4885HTR3E 1662/4885HTR3B 1018/4885

“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.