SCHEMBL3970837

SCHEMBL3970837

CC(C)CN([C]=N)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL10703683 0.69 CYP1A2 (0.48) CYP1A2MAPK1CA12CA1CA2
SCHEMBL1583643 0.69 CYP1A2 (0.36) CYP1A2MAPK1CA12CA1CA2
SCHEMBL270802 0.69 CA12 (0.36) CYP1A2MAPK1CA12CA1CA2
SCHEMBL269710 0.69 CYP1A2 (0.36) CYP1A2MAPK1CA12CA1CA2
SCHEMBL65000 0.68 CYP1A2 (0.53) CYP1A2MAPK1CA12CA1CA2
SCHEMBL1583184 0.67 CYP1A2 (0.35) CYP1A2MAPK1
Ammonia Solution, Strong SCHEMBL5964780 0.65 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
SCHEMBL8021435 0.65 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
Fluoride SCHEMBL1056432 0.65 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
SCHEMBL27552946 0.65 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2

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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 CYP1A2 420/4885MAPK1 3617/4885CA12 4620/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 CYP1A2 268/4885MAPK1 3809/4885CA12 3154/4885

“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.