Sugi Predict

Sugi Predict / Compounds / SCHEMBL785432

SCHEMBL785432

SCHEMBL785432

CN1CCN([C@@H]2CCC[C@H](N(C)C(=O)c3ccc4c(c3)[C@H](NS(=O)(=O)c3ccccc3Cl)CC4)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HSD11B2 P80365 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 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
SCHEMBL784625 0.84 ALDH1A1 (0.45) ALDH1A1TSHRCTSS
SCHEMBL784219 0.79 F10 (0.41) HTR2AHTR2CBDKRB1CNR2ALDH1A1
SCHEMBL784576 0.75 CYP1A2 (0.50) ALDH1A1SMN1; SMN2MAPK1TSHRNPSR1
SCHEMBL484854 0.75 CYP1A2 (0.50) ALDH1A1SMN1; SMN2MAPK1TSHRNPSR1
SCHEMBL803565 0.74 TAS1R3 (0.44) ALDH1A1SMN1; SMN2TSHRL3MBTL1HTT
SCHEMBL2820965 0.74 TAS1R3 (0.44) ALDH1A1SMN1; SMN2TSHRL3MBTL1HTT
SCHEMBL784867 0.73 F10 (0.41) HTR2AHTR2CCNR2
SCHEMBL785699 0.72 ALDH1A1 (0.45) BDKRB1ALDH1A1TSHRCTSSJAK2
SCHEMBL2822028 0.71 CYP1A2 (0.59) ALDH1A1SMN1; SMN2MAPK1NPSR1L3MBTL1
SCHEMBL2818481 0.71 HTT (0.51) ALDH1A1SMN1; SMN2MAPK1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR2A 475/4885HTR2C 549/4885BDKRB1 1/4885

“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.