SCHEMBL4143496

SCHEMBL4143496

CN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.80
GRM5 P41594 1/20 0.73
NPC1 O15118 1/20 0.67
CYP2C9 P11712 1/20 0.66
BLM P54132 1/20 0.66
HPGD P15428 4/20 0.66
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
TSHR P16473 1/20 0.65
ALOX15 P16050 1/20 0.64
ACHE P22303 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SIGMAR1 Q99720 1/20 0.61

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
SCHEMBL10293599 0.93 POLB (0.71) POLBGRM5NPC1CYP2C9BLM
SCHEMBL10724841 0.90 POLB (0.81) POLBGRM5NPC1HPGDKMT2A
SCHEMBL252026 0.89 HPGD (0.79) POLBBLMHPGDKMT2AMEN1
SCHEMBL7129676 0.89 HPGD (0.79) POLBBLMHPGDKMT2AMEN1
SCHEMBL8158988 0.89 POLB (1.00) POLBGRM5NPC1CYP2C9HPGD
Hydrochloric Acid SCHEMBL1597472 0.87 HPGD (0.76) POLBBLMHPGDKMT2AMEN1
SCHEMBL14980308 0.86 POLB (0.72) POLBGRM5NPC1CYP2C9HPGD
SCHEMBL10723960 0.86 HPGD (0.68) POLBGRM5HPGDKMT2AMEN1
SCHEMBL14980324 0.85 POLB (0.74) POLBGRM5NPC1CYP2C9HPGD
SCHEMBL3641190 0.85 GRM5 (1.00) POLBGRM5NPC1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135922-B Azepane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2023-05-30 CN claimed
CN-101412708-A Duloxetine derivative and preparation thereof UNIV HEBEI TECHNOLOGY (CN) 2009-04-22 CN claimed
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO disclosed
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 EP disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-06-15 US disclosed
US-20230165883-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING CORONARY DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-01 US disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
US-7037913-B2 Piperazinyl derivatives of naphthalenes, (iso)quinolines and naphthyridines; used particularly the treatment of HIV and AIDS. BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
EP-1499319-A4 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-02-08 EP disclosed
EP-1499319-A1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES Bristol-Myers Squibb Company (US) 2005-01-26 EP disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-01-15 US disclosed
WO-2003092695-A1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-13 WO disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
EP-0354303-A1 Amidines of diphenyl sulfones, their derivatives and their use AMERICAN CYANAMID COMPANY (US) 1990-02-14 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 (6 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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP POLB 3034/4885GRM5 1359/4885NPC1 127/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT POLB 4018/4885GRM5 3035/4885NPC1 128/4885
US-20230165883-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING CORONARY DISORDERS GCDH, HPGD, PGD POLB 1169/4885GRM5 1835/4885NPC1 2200/4885
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives CCR5, ITPA, IL4 POLB 562/4885GRM5 559/4885NPC1 524/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR POLB 3442/4885GRM5 717/4885NPC1 720/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR POLB 3442/4885GRM5 717/4885NPC1 720/4885

“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.