SCHEMBL20135640

SCHEMBL20135640

Cc1cnc(N2CCC(N)CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 4/20 0.47
OPRK1 P41145 6/20 0.46
AKT2 P31751 4/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KIT P10721 1/20 0.40
GSK3B P49841 1/20 0.40
AKT1 P31749 2/20 0.40
SMO Q99835 1/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL4499593 0.81 SMN1; SMN2 (0.46) SSTR2AKT2KCNH2
SCHEMBL12991619 0.80 CNR2 (0.50) OPRK1NOS3NOS1NOS2
SCHEMBL3436555 0.80 ALDH1A1 (0.53) OPRK1AKT2
SCHEMBL13999567 0.80 OPRK1 (0.44) OPRK1SMO
SCHEMBL14853103 0.80 OPRK1 (0.48) OPRK1KCNH2
SCHEMBL16945095 0.79 CNR2 (0.53) OPRK1NOS3NOS1NOS2
SCHEMBL3557685 0.78 KDM4E (0.52) OPRK1
SCHEMBL3435641 0.78 ALDH1A1 (0.50) SSTR2OPRK1AKT2
SCHEMBL2366129 0.77 TAAR1 (0.47)
SCHEMBL19446958 0.77 HRH4 (0.48)

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 3 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
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 SSTR2 2155/4885OPRK1 2100/4885AKT2 1626/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 SSTR2 1996/4885OPRK1 2177/4885AKT2 1881/4885

“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.