SCHEMBL19643171

SCHEMBL19643171

COC(=O)C1CCNc2cc(C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GUSB P08236 1/20 0.39
F12 P00748 2/20 0.38
F2 P00734 1/20 0.38
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
DPP4 P27487 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL22492474 0.90 F12 (0.46) HTR2ASMN1; SMN2GUSBF12F2
SCHEMBL19643505 0.84 SMN1; SMN2 (0.40) SMN1; SMN2F12F2GAAKMT2A
SCHEMBL31153470 0.83 SLC6A3 (0.39) F12F2
SCHEMBL19643872 0.81 SLC6A2 (0.38) SMN1; SMN2F12GAAKMT2AMAPT
SCHEMBL19644249 0.80 MMP2 (0.40) SMN1; SMN2F12KMT2A
SCHEMBL30289956 0.76 F12 (0.47) F12F2
SCHEMBL2335872 0.76 F12 (0.47) F12F2
SCHEMBL22492624 0.75 F12 (0.47) F12F2
SCHEMBL22492415 0.74 F12 (0.47) HTR2AF12F2GAAKMT2A
SCHEMBL28771219 0.74 CHRNB2 (0.39) HTR2AGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI HTR2A 4291/4885SMN1; SMN2 4653/4885GUSB 3444/4885

“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.