SCHEMBL20809451

SCHEMBL20809451

COCC1CNCCN1c1ncc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
CRHR1 P34998 1/20 0.37
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
Hydrochloric Acid SCHEMBL29689105 0.99 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20135017 0.86 HTR2A (0.40) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20134853 0.86 HTR2A (0.40) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20134855 0.86 HTR2A (0.40) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20134892 0.79 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL20134894 0.79 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL20135435 0.79 HTR2C (0.42) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29688826 0.78 HTR2C (0.41) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29688400 0.78 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL31086977 0.76 CYP2D6 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A

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-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

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 CYP2D6 880/4885SLC6A2 4833/4885SLC6A4 4748/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CYP2D6 691/4885SLC6A2 4812/4885SLC6A4 4698/4885

“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.