SCHEMBL721320

SCHEMBL721320

ClC(c1nn(-c2ccccc2)c2ccccc12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 4/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
IDO1 P14902 1/20 0.35
PDE5A O76074 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL719102 0.84 IDO1 (0.40) L3MBTL1HTTADORA3ADORA2AADORA1
SCHEMBL720196 0.81 HTR3A (0.42) L3MBTL1HTTKMT2AMEN1RAB9A
SCHEMBL718937 0.80 CNR2 (0.40) KMT2AMEN1TP53KDM4EIDO1
SCHEMBL4876232 0.66 RORC (0.46) L3MBTL1HTTKMT2ALMNANPSR1
SCHEMBL11754971 0.65 IDO1 (0.53) L3MBTL1KMT2AMEN1LMNAPKM
SCHEMBL718461 0.64 HTR3E (0.44) L3MBTL1HTTKMT2AMEN1POLB
SCHEMBL9563239 0.63 IDO1 (0.50) L3MBTL1KMT2AMEN1LMNAPKM
SCHEMBL717278 0.63 IDO1 (0.41) KMT2AMEN1TP53KDM4EIDO1
SCHEMBL10315082 0.62 MAPK1 (0.62) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL3161095 0.62 PDE5A (0.48) L3MBTL1KMT2APOLBKDM4EPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885HTT 1337/4885ADORA3 2906/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885HTT 1337/4885ADORA3 2906/4885

“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.