SCHEMBL2294066

SCHEMBL2294066

[NH]C1NCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.58
GAA P10253 1/20 0.56
SLC22A1 O15245 1/20 0.51
RECQL P46063 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL16799768 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL24017043 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL3102671 0.78 CYP2D6 (0.41) PRCPTSHRMAPT
SCHEMBL30368634 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL8823898 0.75 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL746026 0.75 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL878428 0.75 PRCP (0.59) PRCPGAASLC22A1RECQLTSHR
SCHEMBL327738 0.75 PRCP (0.61) PRCPGAASLC22A1RECQLTSHR
SCHEMBL327182 0.75 PRCP (0.58) PRCPGAASLC22A1RECQLTSHR
SCHEMBL1011611 0.75 PRCP (0.61) PRCPGAASLC22A1RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266983-B1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2013-06-05 EP disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
EP-2266983-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-29 EP disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 PRCP 2312/4885GAA 248/4885SLC22A1 1493/4885
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 PRCP 1252/4885GAA 88/4885SLC22A1 2272/4885

“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.