SCHEMBL17090986

SCHEMBL17090986

Cc1ccn(-c2ccc(CO)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
VHL P40337 1/20 0.46
ELOC Q15369 1/20 0.46
ELOB Q15370 1/20 0.46
NPC1 O15118 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.43
OXTR P30559 3/20 0.41
AVPR1A P37288 3/20 0.41
AVPR2 P30518 2/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL16201994 0.83 HTT (0.53) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL17924409 0.81 HTT (0.51) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL8222456 0.81 HTT (0.51) HTTRAB9AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17091212 0.80 HTT (0.50) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL24258313 0.79 HTT (0.49) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL597553 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL12422701 0.78 HTT (0.59) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL18725064 0.76 HTT (0.58) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL16574213 0.75 MAPT (0.47) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL5539090 0.75 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E

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-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 HTT 1113/4885RAB9A 1090/4885MAPT 1305/4885

“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.