SCHEMBL2406731

SCHEMBL2406731

[C-]#[N+][C@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
MIF P14174 2/20 0.38

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
SCHEMBL377591 1.00 TAAR1 (0.42) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL450918 1.00 TAAR1 (0.42) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL16202960 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL16202956 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL11859945 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL12053468 0.74 MEN1 (0.40) KDM4EHIF1AALDH1A1
SCHEMBL2561541 0.74 CYP3A4 (0.44) CYP2D6LMNAALDH1A1TSHR
SCHEMBL2560254 0.74 IDO1 (0.39) LMNAALDH1A1
SCHEMBL2554184 0.74 CYP2A6 (0.40) ALDH1A1
SCHEMBL3901288 0.74 ADRB2 (0.52) LMNAHIF1ATSHR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20130338181-A1 TREATMENT OF EFFECT OF CHEMICALS WITH THEIR ULTRADILUTE STEREOISOMERS KUZEFF REINHARD MICHAEL (AU) 2013-12-19 US disclosed
EP-2539320-A1 A PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS Vereniging Voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek En Patiëntenzorg (NL) 2013-01-02 EP disclosed
US-20120329704-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIEENTENZORG (NL) 2012-12-27 US disclosed
US-20120136020-A1 TREATMENT OF EFFECT OF CHEMICALS WITH THEIR ULTRADILUTE STEREOISOMERS SEMPACH PTY LTD (AU) 2012-05-31 US disclosed
WO-2011103932-A1 A PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2011-09-01 WO disclosed
EP-1487448-A4 TREATMENT OF EFFECT OF CHEMICALS WITH THEIR ULTRADILUTE STEREOISOMERS SEMPACH PTY LTD (AU) 2007-04-25 EP disclosed
US-20050119350-A1 Treatment of effect of chemicals with their ultradilute stereoisomers SEMPACH PTY LTD ACN 078 746 522 (AU) 2005-06-02 US disclosed
EP-1487448-A1 TREATMENT OF EFFECT OF CHEMICALS WITH THEIR ULTRADILUTE STEREOISOMERS Sempach PTY Ltd (AU) 2004-12-22 EP disclosed
WO-2003072105-A1 TREATMENT OF EFFECT OF CHEMICALS WITH THEIR ULTRADILUTE STEREOISOMERS SEMPACH PTY LTD (AU) 2003-09-04 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 (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-20120329704-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS NGLY1, NPR3, NPR1 TAAR1 1681/4885KDM4E 2797/4885ADRA2A 3319/4885

“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.