SCHEMBL13689965

SCHEMBL13689965

CC(C)c1ccc(C(=O)NCCN2CCNC2=O)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.58
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CREBBP Q92793 1/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ SCN9A Q15858 1/20 0.43
▸ POLR1A O95602 1/20 0.41
▸ PLAT P00750 1/20 0.39
▸ FPR3 P25089 3/20 0.39
▸ FPR2 P25090 3/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ SLC8A1 P32418 1/20 0.37

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
SCHEMBL14190871 0.85 RAB9A (0.62) ENPP2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12844397 0.83 ENPP2 (0.59) ENPP2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12775510 0.82 KMT2A (0.59) ENPP2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12141908 0.79 ALDH1A1 (0.57) RAB9AKMT2AALDH1A1LMNA
SCHEMBL12017916 0.75 TP53 (0.42) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL12775200 0.74 SCD (0.36) ENPP2
SCHEMBL14896252 0.74 ENPP2 (1.00) ENPP2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12017919 0.73 CNR1 (0.46) RAB9ALMNA
SCHEMBL12017920 0.73 POLB (0.43) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL9167791 0.72 KMT2A (0.60) ENPP2RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ENPP2 359/4885RAB9A 1802/4885KMT2A 2693/4885

“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.

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