SCHEMBL2255409

SCHEMBL2255409

CC(=O)N1CCc2cccc(N)c21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.67
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B3 P37058 2/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42
CYP11B2 P19099 2/20 0.41

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
SCHEMBL29216428 0.90 NOTUM (0.58) NOTUML3MBTL1MEN1KMT2AHSD17B3
SCHEMBL23799185 0.85 NPC1 (0.49) NOTUMNPC1RAB9AL3MBTL1MEN1
SCHEMBL25014427 0.83 NOTUM (0.47) NOTUMNPC1RAB9AL3MBTL1MEN1
SCHEMBL7163398 0.81 NOTUM (0.69) NOTUML3MBTL1HSD17B3GAACNR2
SCHEMBL19329573 0.80 NOTUM (0.67) NOTUMCYP11B2
SCHEMBL31389170 0.79 NR1H2 (0.46) NOTUMNPC1RAB9AL3MBTL1MEN1
SCHEMBL23293654 0.79 NR1H2 (0.46) NOTUMNPC1RAB9AL3MBTL1MEN1
SCHEMBL21232729 0.78 NOTUM (0.63) NOTUM
SCHEMBL19219782 0.78 NOTUM (0.63) NOTUMNPC1HSD17B3GAA
SCHEMBL12781789 0.78 NOTUM (0.63) NOTUMHSD17B3GAACNR2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN disclosed
WO-2023014022-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-09 WO disclosed
WO-2023287130-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2023-01-19 WO disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO disclosed
US-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
WO-1993005043-A1 NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1993-03-18 WO disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP disclosed
US-3983137-A Process for preparing 3-(indol-3-yl)-dehydronaphthalide hydrochlorides POLAROID CORPORATION (US) 1976-09-28 US disclosed
US-3933854-A CHEMICAL INTERMEDIATES FOR INDICATOR DYES POLAROID CORPORATION (US) 1976-01-20 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 (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-20090069564-A1 Methods and Compositions for Selectin Inhibition SELP, SELE, SELL NOTUM 2276/4885NPC1 2309/4885RAB9A 4455/4885
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD NOTUM 228/4885NPC1 3164/4885RAB9A 3780/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NOTUM 3548/4885NPC1 523/4885RAB9A 3793/4885

“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.