SCHEMBL4164000

SCHEMBL4164000

CC(=O)NC[C@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
FUCA1 P04066 1/20 0.42
IKBKB O14920 5/20 0.41
FDPS P14324 1/20 0.40
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRCP P42785 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SCN9A Q15858 1/20 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
SCHEMBL4164002 1.00 DRD2 (0.42) DRD2DRD3FUCA1IKBKBFDPS
SCHEMBL6860109 1.00 DRD2 (0.42) DRD2DRD3FUCA1IKBKBFDPS
Hydrochloric Acid SCHEMBL30636639 0.98 DRD2 (0.43) DRD2DRD3FUCA1IKBKBFDPS
Hydrochloric Acid SCHEMBL15157347 0.98 DRD2 (0.43) DRD2DRD3FUCA1IKBKBFDPS
SCHEMBL12506228 0.94 FDPS (0.46) DRD2DRD3FUCA1FDPSLMNA
SCHEMBL13186048 0.94 FDPS (0.46) DRD2DRD3FUCA1FDPSLMNA
SCHEMBL13207251 0.94 FDPS (0.46) DRD2DRD3FUCA1FDPSLMNA
SCHEMBL31345184 0.86
SCHEMBL3335001 0.82 CYP2D6 (0.42) DRD2DRD3IKBKBFDPSFPR3
SCHEMBL14919306 0.82 CYP2D6 (0.42) DRD2DRD3IKBKBFDPSFPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317278-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2021-04-14 EP disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2013113860-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-08 WO disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 WO disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (4 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 DRD2 2845/4885DRD3 1754/4885FUCA1 859/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DRD2 4692/4885DRD3 4636/4885FUCA1 1228/4885
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals KCNA1, KCNE1, KCNH1 DRD2 2466/4885DRD3 2317/4885FUCA1 2203/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 DRD2 2615/4885DRD3 1082/4885FUCA1 1594/4885

“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.