SCHEMBL6729562

SCHEMBL6729562

O=C(c1ccc(-c2ccccn2)cc1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1.O=C(c1ccc(-c2ccccn2)cc1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.52
SLC6A7 Q99884 1/20 0.47
F10 P00742 8/20 0.46
KLK1 P06870 1/20 0.46
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
GRM5 P41594 1/20 0.44
GHSR Q92847 1/20 0.44
CHEK2 O96017 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CBFB Q13951 1/20 0.43
TACR3 P29371 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6782086 0.97 HTR2B (0.53) HTR2BSLC6A7F10KLK1ABL1
SCHEMBL6782078 0.97 HTR2B (0.53) HTR2BSLC6A7F10KLK1ABL1
SCHEMBL6738660 0.88 F10 (0.49) HTR2BF10KLK1HRH4HRH3
SCHEMBL6730046 0.86 F10 (0.49) F10KLK1ABL1BCRHRH4
SCHEMBL6730038 0.86 F10 (0.49) HTR2BF10KLK1ABL1BCR
SCHEMBL6726545 0.86 METAP2 (0.46) HTR2BF10GRM5METAP2METAP1
SCHEMBL6726550 0.86 LMNA (0.45) HTR2BF10KLK1GRM5
SCHEMBL6730406 0.85 ALDH1A1 (0.43) HTR2BF10KLK1
SCHEMBL6730408 0.85 METAP2 (0.45) HTR2BF10METAP2METAP1CBFB
SCHEMBL6729184 0.85 F10 (0.49) F10KLK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 HTR2B 1053/4885SLC6A7 4827/4885F10 19/4885

“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.