SCHEMBL7450223

SCHEMBL7450223

CC(C(=O)O)N1C(=O)Cc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
NOTUM Q6P988 4/20 0.41
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
HSD17B3 P37058 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
PDE5A O76074 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7450219 1.00 P2RX3 (0.43) P2RX3NOTUMSDCBPSDC2HSD17B3
SCHEMBL7454667 1.00 P2RX3 (0.43) P2RX3NOTUMSDCBPSDC2HSD17B3
SCHEMBL662289 0.87 NOTUM (0.40) P2RX3NOTUMHSD17B3KMT2AMEN1
SCHEMBL663054 0.87 NOTUM (0.40) P2RX3NOTUMHSD17B3KMT2AMEN1
SCHEMBL661224 0.87 NOTUM (0.40) P2RX3NOTUMHSD17B3KMT2AMEN1
SCHEMBL12571559 0.87 NOTUM (0.40) P2RX3NOTUMHSD17B3KMT2AMEN1
SCHEMBL9108805 0.84 P2RX3 (0.43) P2RX3NOTUMSDCBPSDC2MAPT
SCHEMBL2003570 0.83 P2RX3 (0.42) P2RX3NOTUMHSD17B3KMT2AMEN1
SCHEMBL14615590 0.83 BMPR1B (0.49) P2RX3NOTUMKMT2AMEN1MAPT
SCHEMBL4553514 0.79 NOTUM (0.53) NOTUMKMT2AMEN1MAPTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103119015-A Method for resolving nitrogen substituted -5-alkoxy-2-aminotetralin derivatives UCB PHARMA GMBH 2013-05-22 CN claimed
US-20130102794-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA GMBH (DE) 2013-04-25 US claimed
EP-2585428-B1 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-05-10 EP disclosed
US-8981121-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2015-03-17 US disclosed
CN-103119015-A Method for resolving nitrogen substituted -5-alkoxy-2-aminotetralin derivatives UCB PHARMA GMBH 2013-05-22 CN disclosed
EP-2585428-A2 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB Pharma GmbH (DE) 2013-05-01 EP disclosed
US-20130102794-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA GMBH (DE) 2013-04-25 US disclosed
WO-2011161255-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-12-29 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-20130102794-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AANAT, AADAT, ASNS P2RX3 3694/4885NOTUM 3223/4885SDCBP 4582/4885

“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.