SCHEMBL17456003

SCHEMBL17456003

O=C(CN1CCC(Oc2cccnc2-c2ccncc2)CC1)N1CCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SCD O00767 9/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ MAPK6 Q16659 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 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
SCHEMBL17455922 0.98 ALDH1A1 (0.43) RBP4ALDH1A1KDM4ETDP1SCD
SCHEMBL17455956 0.91 TMEM97 (0.51) RBP4ALDH1A1TMEM97SIGMAR1MAPK3
SCHEMBL17505977 0.83 ERBB2 (0.44) RBP4ALDH1A1SCDKMT2A
SCHEMBL17456015 0.83 CDK9 (0.42) RBP4KMT2ACYP11B1CYP11B2
SCHEMBL17455940 0.83 NAMPT (0.46) RBP4ALDH1A1KDM4ESCD
SCHEMBL17456068 0.82 KDM4E (0.45) RBP4ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL17456064 0.79 RBP4 (0.47) RBP4SCD
SCHEMBL17456018 0.79 CYP11B1 (0.42) RBP4CYP11B1CYP11B2
SCHEMBL17455921 0.79 CYP11B1 (0.42) RBP4ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL17455927 0.78 RBP4 (0.53) RBP4ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 RBP4 4341/4885ALDH1A1 65/4885KDM4E 764/4885

“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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