SCHEMBL13078005

SCHEMBL13078005

O=C1Nc2ccccc2CN1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
CREBBP Q92793 1/20 0.53
CALCRL Q16602 11/20 0.51
RAMP1 O60894 5/20 0.51
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
CHRM4 P08173 2/20 0.46
CTSS P25774 4/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL2872824 0.93 BRD4 (0.56) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL3279615 0.87 BRD4 (0.50) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL31184539 0.87 BRD4 (0.50) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL2100919 0.87 BRD4 (0.50) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL31184549 0.87 BRD4 (0.50) BRD4CREBBPCALCRLRAMP1CHRM4
Hydrochloric Acid SCHEMBL1812169 0.86 BRD4 (0.49) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL13313600 0.86 BRD4 (0.57) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL12400687 0.84 CHRM4 (0.50) BRD4CREBBPCALCRLRAMP1CHRM4
SCHEMBL16313925 0.84 MAPT (0.47) BRD4CREBBPCALCRLRAMP1OPRM1
SCHEMBL5695088 0.83 CALCRL (0.49) BRD4CREBBPCALCRLRAMP1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 BRD4 2766/4885CREBBP 4343/4885CALCRL 3162/4885

“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.