SCHEMBL3317440

SCHEMBL3317440

NCCOc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
LTA4H P09960 2/20 0.50
PLA2G2A P14555 1/20 0.50
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KCNA3 P22001 1/20 0.37
HTR1B P28222 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL2030275 0.90 TAAR1 (0.45) TAAR1LTA4HPLA2G2AKCNA3HTR1B
SCHEMBL27458045 0.89 TAAR1 (0.44) TAAR1LTA4HPLA2G2AKCNA3
SCHEMBL5704638 0.87 KCNA3 (0.42) TAAR1LTA4HPLA2G2AKDM4ESMN1; SMN2
SCHEMBL5251629 0.87 TAAR1 (0.42) TAAR1KCNA3
SCHEMBL920448 0.84 ALDH1A1 (0.38) TAAR1LTA4HPLA2G2AKCNA3
SCHEMBL6386653 0.83
SCHEMBL922260 0.82 KCNA3 (0.40) TAAR1LTA4HPLA2G2AKDM4ESMN1; SMN2
SCHEMBL27854326 0.81 TAAR1 (0.46) TAAR1LTA4HPLA2G2AKDM4ESMN1; SMN2
SCHEMBL920813 0.81 KCNA3 (0.43) TAAR1LTA4HKCNA3
SCHEMBL129009 0.80 KMT2A (0.42) LTA4HKDM4ESMN1; SMN2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104080783-A Pyrrole compounds YAKULT HONSHA KK 2014-10-01 CN claimed
CN-101784188-A Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-07-21 CN claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN disclosed
CN-105541769-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2016-05-04 CN disclosed
CN-103664637-B Be used for the treatment of ophthalmic diseases and disorderly alkynyl phenyl derivative compounds ACUCELA INC. (US) 2016-02-03 CN disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
CN-104080783-A Pyrrole compounds YAKULT HONSHA KK 2014-10-01 CN disclosed
CN-103664637-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-03-26 CN disclosed
CN-101784188-B Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-02-12 CN disclosed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US disclosed
CN-1550496-A Acetylenic alpha-amino acid-based sulfamide hydroxamic acid TACE inhibitors ���Ͽع����޹�˾ 2004-12-01 CN disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN 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 (2 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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB TAAR1 3218/4885LTA4H 4510/4885PLA2G2A 4811/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 TAAR1 3680/4885LTA4H 3490/4885PLA2G2A 3367/4885

“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.