SCHEMBL3605585

SCHEMBL3605585

O=C(OCc1ccccc1)N1CCCCC1CO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PREP P48147 3/20 0.52
FKBP1A P62942 3/20 0.52
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
ACE2 Q9BYF1 2/20 0.50
CYP2C19 P33261 1/20 0.50
CTRB1 P17538 1/20 0.49

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
SCHEMBL1190565 1.00 SPHK2 (0.54) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL80752 1.00 SPHK2 (0.54) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL7561453 0.99 SPHK2 (0.53) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL4602602 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL5267939 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL809494 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL4186350 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL6252758 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL4186357 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL7598366 0.90 TMEM97 (0.51) SMN1; SMN2NPC1RAB9APREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed
WO-2023187760-A1 MANNOSE-TARGETED COMPOSITIONS GENEVANT SCIENCES GMBH (CH) 2023-10-05 WO disclosed
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
US-20220168430-A1 THERAPEUTIC METHODS FOR TREATING HEPATITIS B ARBUTUS BIOPHARMA CORPORATION (US) 2022-06-02 US disclosed
US-20190160176-A1 TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2019-05-30 US disclosed
US-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 US disclosed
EP-2776430-B1 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-16 EP disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
EP-2776430-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-09-17 EP disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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 (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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SPHK2 367/4885SMN1; SMN2 3784/4885NPC1 1218/4885
US-20190160176-A1 TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS HAVCR2, DCTD, POLRMT SPHK2 3364/4885SMN1; SMN2 2277/4885NPC1 345/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 SPHK2 4209/4885SMN1; SMN2 4057/4885NPC1 3378/4885
US-20220168430-A1 THERAPEUTIC METHODS FOR TREATING HEPATITIS B HAVCR2, HDGF, FABP1 SPHK2 866/4885SMN1; SMN2 3252/4885NPC1 328/4885
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 SPHK2 140/4885SMN1; SMN2 3686/4885NPC1 729/4885

“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.