SCHEMBL6714503

SCHEMBL6714503

NCCOc1ccc(OCCN)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.75
LTA4H P09960 2/20 0.70
PLA2G2A P14555 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.55
CYP19A1 P11511 4/20 0.53
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP3A5 P20815 1/20 0.48

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
SCHEMBL29237868 0.92 TAAR1 (0.65) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL7866458 0.89 TAAR1 (0.62) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL3183362 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL3158699 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL4584910 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL23905132 0.87 LTA4H (0.64) TAAR1LTA4HPLA2G2A
SCHEMBL14017120 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL1010863 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2MEN1
SCHEMBL304730 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL1784442 0.87 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668968-B1 Polymeric ascorbic acid devices for tissue regeneration COVIDIEN LP (US) 2019-08-14 EP claimed
US-20210292464-A1 SELF-HEALING COMPOSITION CENTRE NAT RECH SCIENT (FR) 2021-09-23 US disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
WO-1999064033-A9 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-3933737-A SULFUR-CONTAINING ORGANOTIN COMPOUNDS AND NON-SULFUR-CONTAINING ORGANOTIN COMPOUNDS KABEL-UND METALLWERKE GUTEHOFFNUNGSHUTTE AKTIENGESELLSCHAFT (DT) 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 (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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 TAAR1 2430/4885LTA4H 355/4885PLA2G2A 151/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 TAAR1 4635/4885LTA4H 463/4885PLA2G2A 1376/4885

“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.