SCHEMBL20134894

SCHEMBL20134894

Cc1cnc(N2CCNCC2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
HTR2A P28223 6/20 0.42
HTR2B P41595 6/20 0.42
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
RAD52 P43351 1/20 0.39
LATS1 O95835 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
GSK3B P49841 4/20 0.37

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
SCHEMBL20134892 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BPIM1PIM3
SCHEMBL20135435 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BPIM1PIM3
Hydrochloric Acid SCHEMBL29688826 0.99 HTR2C (0.41) HTR2CHTR2AHTR2BPIM1PIM3
Hydrochloric Acid SCHEMBL29688400 0.99 HTR2C (0.41) HTR2CHTR2AHTR2BPIM1PIM3
SCHEMBL20134853 0.82 HTR2A (0.40) HTR2CHTR2AHTR2B
SCHEMBL20134855 0.82 HTR2A (0.40) HTR2CHTR2AHTR2B
SCHEMBL20135017 0.82 HTR2A (0.40) HTR2CHTR2AHTR2B
SCHEMBL20809451 0.79 CYP2D6 (0.50) HTR2CHTR2AHTR2B
SCHEMBL31398804 0.78 ROCK2 (0.43) HTR2CHTR2AHTR2BPIM1PIM3
Hydrochloric Acid SCHEMBL29689105 0.78 CYP2D6 (0.49) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN 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
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 HTR2C 3534/4885HTR2A 3616/4885HTR2B 2669/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR2C 3675/4885HTR2A 3803/4885HTR2B 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.