SCHEMBL2133327

SCHEMBL2133327

COCc1cccc(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
PKM P14618 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44

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
SCHEMBL20795336 0.85 MRGPRX4 (0.51) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL3149977 0.84 MAOB (0.57) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL30628893 0.84 MRGPRX4 (0.67) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL565902 0.84 MRGPRX4 (0.67) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL278656 0.84 MRGPRX4 (0.50) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL1544193 0.82 LOXL2 (0.70) MRGPRX4SMN1; SMN2RAB9ALOXL2CYP4F2
SCHEMBL2824632 0.82 PARP1 (0.56) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL31276343 0.82 LOXL2 (0.70) MRGPRX4SMN1; SMN2RAB9ALOXL2CYP4F2
SCHEMBL28026974 0.81 GLRA1 (0.41) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL11634078 0.81 CYP4F2 (0.49) MRGPRX4SMN1; SMN2RAB9ATP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023281063-A1 BROAD-SPECTRUM ANTIVIRAL DRUGS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-01-12 WO disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
CN-103298811-A Diaza-spiro[5.5]undecanes useful as orexin receptor antagonists NOVARTIS AG 2013-09-11 CN disclosed
EP-2632924-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2013-09-04 EP disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
CN-101838269-A 1,3,8-triaza-spiro[4.5]decane-4-ketone compounds and pharmaceutical application thereof INST PHARM & TOXICOLOGY AMMS 2010-09-22 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 (3 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-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R MRGPRX4 465/4885SMN1; SMN2 2212/4885RAB9A 2439/4885
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 MRGPRX4 1503/4885SMN1; SMN2 2847/4885RAB9A 1200/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 MRGPRX4 2930/4885SMN1; SMN2 2105/4885RAB9A 2819/4885

“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.