SCHEMBL21767869

SCHEMBL21767869

Cc1ccc(C2=CCN(C(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
QDPR P09417 2/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PKM P14618 2/20 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
SCHEMBL3039898 0.81 CA12 (0.46) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL21767846 0.78 NAMPT (0.52) NAMPTKMT2A
SCHEMBL21381860 0.77 ERCC5 (0.42) NAMPT
SCHEMBL610260 0.76 ALDH1A1 (0.49) NAMPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8163530 0.75 ALDH1A1 (0.49) QDPRALDH1A1SMN1; SMN2NPC1ALOX15
SCHEMBL14496802 0.74 QDPR (0.70) NAMPTQDPRALDH1A1SMN1; SMN2NPC1
SCHEMBL21767855 0.72 NCOA1 (0.46) NAMPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17107402 0.72 ENPP2 (0.36) KCNH2MAPTS1PR5
SCHEMBL17107406 0.72 ENPP2 (0.36) KCNH2MAPTS1PR5
SCHEMBL20140921 0.71 HTR1A (0.45) RAB9AKCNH2KDM4EHPGD

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-10919891-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-16 US disclosed
US-10875862-B2 2020-12-29 US disclosed
US-20200131174-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
EP-3617209-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-03-04 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 (3 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-10919891-B2 Heterocyclic compound CASR, AGTR2, AGTR1 NAMPT 3149/4885QDPR 605/4885ALDH1A1 3347/4885
US-20200131174-A1 HETEROCYCLIC COMPOUND CASR, AGTR2, AGTR1 NAMPT 3149/4885QDPR 605/4885ALDH1A1 3347/4885
US-10875862-B2 CASR, AGTR2, AGTR1 NAMPT 3820/4885QDPR 893/4885ALDH1A1 3567/4885

“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.