SCHEMBL17455927

SCHEMBL17455927

O=C(c1ccccc1)N1CCC(Oc2cccnc2-c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CSF1R P07333 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ DDR1 Q08345 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP46A1 Q9Y6A2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL17456067 0.94 NAMPT (0.48) RBP4ALDH1A1HTTTSHRMEN1
SCHEMBL17456052 0.86 EPHX2 (0.51) RBP4ALDH1A1HTTTSHRMEN1
SCHEMBL17456064 0.84 RBP4 (0.47) RBP4IKBKBCHUK
SCHEMBL17455940 0.81 NAMPT (0.46) RBP4ALDH1A1
SCHEMBL17456006 0.80 NAMPT (0.46) RBP4CYP46A1
SCHEMBL17456007 0.78 TDP1 (0.47) CYP3A4CYP2C9CYP2C19SMN1; SMN2HTR2B
SCHEMBL17456003 0.78 RBP4 (0.41) RBP4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17455922 0.78 ALDH1A1 (0.43) RBP4ALDH1A1HTTMEN1KMT2A
SCHEMBL17455968 0.77 SMN1; SMN2 (0.53) ALDH1A1CYP3A4SMN1; SMN2ACHEHPGD
SCHEMBL17455982 0.76 HPGD (0.51) RBP4ALDH1A1KMT2ACYP3A4SMN1; 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 5 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
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

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 65/4885HTT 20/4885

“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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