SCHEMBL19902937

SCHEMBL19902937

Cc1cc(C)nc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CCO2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
HSD17B10 Q99714 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
GBA1 P04062 3/20 0.45
PDE2A O00408 1/20 0.43
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20223578 0.91 L3MBTL1 (0.51) KDM4ETSHRLMNATP53ALOX15
SCHEMBL19894151 0.88 GBA1 (0.59) KDM4EHSD17B10GBA1MEN1KMT2A
SCHEMBL19903050 0.87 KDM4E (0.52) KDM4ETSHRLMNATP53ALOX15
SCHEMBL19894052 0.87 HCRTR1 (0.45) KDM4ETSHRLMNATP53ALOX15
SCHEMBL19893994 0.85 GBA1 (0.57) KDM4ELMNAHSD17B10GBA1PDE2A
SCHEMBL19894111 0.83 P2RX7 (0.52) HCRTR1HCRTR2GBA1GAA
SCHEMBL20223579 0.81 PDE2A (0.45) KDM4ELMNAHSD17B10GBA1PDE2A
SCHEMBL19893980 0.81 GBA1 (0.60) GBA1HTT
SCHEMBL19894016 0.79 HCRTR2 (0.59) TSHRLMNAHCRTR1HCRTR2GBA1
SCHEMBL19894157 0.78 HCRTR1 (0.48) TSHRALOX15HCRTR1HCRTR2HSD17B10

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-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR KDM4E 2226/4885TSHR 187/4885LMNA 3554/4885

“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.