SCHEMBL2184779

SCHEMBL2184779

C[C@@H](C1CN(c2ccc3c(c2)CCN(C)C3)C(=O)O1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
HTR6 P50406 8/20 0.40
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL3718329 0.79 HTR6 (0.46) F10HTR6DRD1DRD5MAOB
SCHEMBL2184784 0.79 GRM2 (0.41) F10HTR6MAOBMAOA
SCHEMBL3718323 0.78 HTR6 (0.45) F10HTR6DRD1DRD5MAOB
SCHEMBL2184137 0.78 MAOA (0.55) HTR6MAOBMAOA
SCHEMBL2184129 0.78 MAOA (0.55) HTR6MAOBMAOA
SCHEMBL2183807 0.76 F10 (0.50) F10HTR6MAOBMAOA
SCHEMBL2183799 0.76 F10 (0.50) F10HTR6MAOBMAOA
SCHEMBL17060576 0.72 MAOB (0.63) F10MAOBMAOA
SCHEMBL6210952 0.69 MAOA (0.60) F10MAOBMAOA
SCHEMBL6210958 0.69 MAOA (0.60) F10MAOBMAOA

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-8741890-B2 Substituted amides, manufacturing and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20110166125-A1 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166125-A1 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS ARG1, P4HA1, ASS1 F10 981/4885HTR6 3859/4885DRD1 126/4885

“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.