SCHEMBL12005506

SCHEMBL12005506

CC1(C)CN(CC2CC2)Cc2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.42
OPRK1 P41145 6/20 0.42
OPRM1 P35372 4/20 0.39
SIGMAR1 Q99720 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.32
SPIN1 Q9Y657 1/20 0.31
ACHE P22303 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL12006335 0.93 SIGMAR1 (0.39) OPRD1OPRK1OPRM1SIGMAR1ACHE
SCHEMBL12005744 0.85 ACHE (0.44) SIGMAR1ACHE
SCHEMBL12005557 0.82 WEE1 (0.38)
SCHEMBL28813979 0.79 HSD17B3 (0.35)
SCHEMBL12005468 0.79 NR1H2 (0.35)
SCHEMBL1952271 0.79 LMNA (0.33)
SCHEMBL12006122 0.78 NR1H2 (0.35)
SCHEMBL12006482 0.78 FPR1 (0.31)
SCHEMBL7657781 0.77 LMNA (0.32) OPRM1
SCHEMBL12005725 0.77 OPRM1 (0.31) OPRD1OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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 (1 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 OPRD1 3480/4885OPRK1 1069/4885OPRM1 3436/4885

“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.