SCHEMBL20134853

SCHEMBL20134853

Cc1cnc(N2CCNC[C@@H]2CO)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.40
HTR2C P28335 9/20 0.40
HTR2B P41595 8/20 0.40
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
CYP2D6 P10635 6/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 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
SCHEMBL20134855 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20135017 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20809451 0.86 CYP2D6 (0.50) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29689105 0.85 CYP2D6 (0.49) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20135435 0.82 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL20134894 0.82 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL20134892 0.82 HTR2C (0.42) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29688400 0.81 HTR2C (0.41) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29688826 0.81 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL31087004 0.74 ALDH1A1 (0.47) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HTR2A 3616/4885HTR2C 3534/4885HTR2B 2669/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR2A 3803/4885HTR2C 3675/4885HTR2B 2766/4885

“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.