SCHEMBL3713829

SCHEMBL3713829

O=C(O)[C@@H]1CCCCN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ CD274 Q9NZQ7 4/20 0.56
▸ PDCD1 Q15116 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.54
▸ MCHR1 Q99705 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ SPHK1 Q9NYA1 1/20 0.52
▸ CACNA1G O43497 1/20 0.52
▸ OPRD1 P41143 1/20 0.51

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
SCHEMBL16714062 1.00 SMN1; SMN2 (0.63) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
SCHEMBL3713831 1.00 SMN1; SMN2 (0.63) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7742897 0.98 SMN1; SMN2 (0.61) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2500262 0.98 SMN1; SMN2 (0.61) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
SCHEMBL1819248 0.95 CYP1A2 (0.60) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
SCHEMBL1972076 0.95 CYP1A2 (0.60) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
SCHEMBL2587055 0.95 CYP1A2 (0.60) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL20790624 0.94 CYP1A2 (0.59) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL992441 0.94 CYP1A2 (0.59) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL992443 0.94 CYP1A2 (0.59) SMN1; SMN2CD274PDCD1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN claimed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 — — EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 — — WO claimed
CN-118724781-A Novel chiral amino amide-selenoether ligand and preparation method thereof 延安大学 2024-10-01 — — CN disclosed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 — — US disclosed
US-20160230289-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-08-11 — — US disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 — — US disclosed
US-20150136728-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-05-21 — — US disclosed
CN-104419326-A Slurry composition for chemical mechanical polishing COWON INNOTECH INC 2015-03-18 — — CN disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
JP-2000143599-A NEW IMMUNOSUPPRESSION COMPOUND VERTEX PHARMACEUT INC 2000-05-23 — — JP 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 (1 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4609/4885CD274 1927/4885PDCD1 3527/4885

“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.

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