SCHEMBL4831448

SCHEMBL4831448

Nc1ccc(CCc2nnco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
GRK6 P43250 1/20 0.45
CYP19A1 P11511 4/20 0.40
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL18462192 0.81 CES1 (0.50) MAOBMAOANPC1MAPTRAB9A
SCHEMBL15297680 0.76
SCHEMBL4834533 0.75 TSHR (0.49) NPC1MAPTRAB9ACYP19A1ALDH1A1
SCHEMBL8164156 0.72 GFER (1.00) GFERMAOBMAOAMAPTTP53
SCHEMBL3482833 0.72 GFER (1.00) GFERMAOBMAOAMAPTTP53
SCHEMBL187043 0.72 GFER (1.00) GFERMAOBMAOAMAPTTP53
SCHEMBL4829470 0.71 GAA (0.47) MAOBMAOANPC1MAPTRAB9A
SCHEMBL19276531 0.70 HRH1 (0.38) MAOACYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8653872 0.70 GFER (0.93) GFERMAOBMAOAMAPTCYP19A1
SCHEMBL14874672 0.69 GFER (0.50) GFERMAOBMAOANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
EP-2583965-B1 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-8937055-B2 Heterocyclic ring compound having muscle cell or adipocyte differentiation regulating action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-20 US disclosed
US-20130296276-A2 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-07 US disclosed
US-20130116214-A1 HETEROCYCLIC RING COMPOUND UJIKAWA OSAMU (JP) 2013-05-09 US disclosed
EP-2583965-A1 HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (5 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GFER 575/4885MAOB 881/4885MAOA 1368/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GFER 575/4885MAOB 881/4885MAOA 1368/4885
US-20130116214-A1 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 GFER 4043/4885MAOB 3932/4885MAOA 4185/4885
US-20130296276-A2 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 GFER 4043/4885MAOB 3932/4885MAOA 4185/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 GFER 4768/4885MAOB 3827/4885MAOA 3931/4885

“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.