SCHEMBL803080

SCHEMBL803080

CC(C)(C)CC1CCCN(Cc2ccncn2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.37
CYP2D6 P10635 1/20 0.34
CXCR4 P61073 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KAT2B Q92831 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL803403 0.92 KDM4E (0.36) CYP2D6CXCR4LMNACYP1A2
SCHEMBL803399 0.84 KDM4E (0.40) CYP2D6CXCR4POLB
SCHEMBL803676 0.83 LMNA (0.50) PDE2AALDH1A1LMNACYP1A2POLB
SCHEMBL803401 0.81 MAPT (0.49) CYP2D6ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL803467 0.81 TNKS (0.38) ALDH1A1LMNANPC1RAB9AKAT2B
SCHEMBL803671 0.76 KAT2B (0.46) PDE2ACYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL803679 0.75 KDM4E (0.53) PDE2ACYP2D6ALDH1A1LMNACYP1A2
SCHEMBL803673 0.74 CHRNB2 (0.58) PDE2AALDH1A1POLBMAPTMEN1
SCHEMBL5962222 0.74 HRH3 (0.45) ALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL803095 0.72 HSD11B1 (0.47) POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PDE2A 611/4885CYP2D6 900/4885CXCR4 325/4885

“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.