SCHEMBL5122823

SCHEMBL5122823

Cc1ccc(-n2[c]cc(C)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 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
SCHEMBL535359 0.69 MAPK14 (0.38) KDM4EALDH1A1HCAR1OPRM1MAPT
SCHEMBL10262764 0.68 ALDH1A1 (0.56) KDM4ENPSR1LMNAALDH1A1HCAR1
SCHEMBL19239922 0.68 TSHR (0.55) KDM4ENPSR1LMNAALDH1A1OPRM1
SCHEMBL5127053 0.67 KMT2A (0.43) LMNAALDH1A1MAPTGAARAB9A
SCHEMBL26769869 0.67 KDM4E (0.49) KDM4ENPSR1LMNAALDH1A1HCAR1
SCHEMBL25836027 0.64 NPSR1 (0.46) KDM4ENPSR1ALDH1A1HCAR1TDP1
SCHEMBL4550925 0.64 KDM4E (0.50) KDM4ENPSR1ALDH1A1HCAR1TDP1
SCHEMBL11897720 0.64 NPC1 (0.64) KDM4ENPSR1LMNAALDH1A1TDP1
SCHEMBL16202089 0.64 KDM4E (0.46) KDM4ENPSR1LMNAALDH1A1HCAR1
SCHEMBL15559740 0.63 KDM4E (0.39) KDM4ENPSR1LMNAALDH1A1HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 KDM4E 4561/4885NPSR1 513/4885LMNA 1977/4885

“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.