SCHEMBL4497529

SCHEMBL4497529

O=C(NC[C]1CCCCCCC1)c1ccnc2ccccc12.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.57
FAP Q12884 13/20 0.53
PREP P48147 5/20 0.53
DPP7 Q9UHL4 2/20 0.53
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PITRM1 Q5JRX3 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48

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
SCHEMBL31512419 0.79 NSD2 (0.67) NSD2
SCHEMBL6630664 0.78 TACR3 (0.72)
SCHEMBL12903049 0.76 NSD2 (0.59) NSD2FAPPREPDPP7CNR1
SCHEMBL30135587 0.75 NSD2 (0.62) NSD2FAPPREPDPP7PITRM1
SCHEMBL15129718 0.75 NSD2 (0.62) NSD2FAPPREPDPP7PITRM1
SCHEMBL8573837 0.74 NSD2 (0.56) NSD2FAPPREPCNR1CNR2
SCHEMBL5603305 0.74 NSD2 (0.56) NSD2FAPPREPDPP7CNR1
SCHEMBL21101481 0.74 NSD2 (0.57) NSD2FAPPREPDPP7CNR1
SCHEMBL24928106 0.73 FAP (0.73) FAPPREPDPP7
SCHEMBL20681090 0.73 CNR1 (0.54) NSD2FAPPREPDPP7CNR1

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-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO 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-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D NSD2 2096/4885FAP 3352/4885PREP 909/4885

“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.