SCHEMBL20133726

SCHEMBL20133726

CN1CCN(c2ncccc2S(N)(=O)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.48
HRH4 Q9H3N8 2/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAPK1 P28482 1/20 0.44
ELANE P08246 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL29968932 0.88 ELANE (0.45) CHIAHRH4CA1CA2ELANE
SCHEMBL31296088 0.84 CYP1A2 (0.53) CA1CA2CA9CA12TRPV1
SCHEMBL19211638 0.82 CYP1A2 (0.54) CA1CA2CA9TRPV1MAPK1
SCHEMBL20129651 0.82 EPHX2 (0.52)
SCHEMBL10362362 0.82 TRPV1 (0.44) CA1CA2CA9CA12TRPV1
SCHEMBL20140927 0.81 CA1 (0.47) CA1CA2CA9CA12TRPV1
Hydrochloric Acid SCHEMBL988424 0.81 CYP1A2 (0.52) CA1CA2CA9TRPV1MAPK1
SCHEMBL21360402 0.78 POLB (0.53) TRPV1
SCHEMBL10112808 0.76 HRH4 (0.53) CHIAHRH4HTR3EHTR3BHTR3A
SCHEMBL14782171 0.76 GRIN2D (0.58) CHIAHRH4HTR3EHTR3BHTR3A

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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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 (2 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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR CHIA 4131/4885HRH4 2032/4885CA1 4540/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR CHIA 4131/4885HRH4 2032/4885CA1 4540/4885

“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.