SCHEMBL14898396

SCHEMBL14898396

CN[C@@H](Cc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
CTSL P07711 12/20 0.49
CTSV O60911 11/20 0.49
CTSS P25774 11/20 0.49
CTSB P07858 8/20 0.49
CTSK P43235 8/20 0.49
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC2A1 P11166 1/20 0.44
LMNA P02545 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
SCHEMBL14942915 1.00 PNMT (0.51) PNMTCTSLCTSVCTSSCTSB
SCHEMBL805207 0.88 CTSL (0.52) PNMTCTSLCTSVCTSSCTSB
SCHEMBL29539732 0.88 CTSL (0.52) PNMTCTSLCTSVCTSSCTSB
SCHEMBL31369749 0.88 CTSL (0.52) PNMTCTSLCTSVCTSSCTSB
SCHEMBL16287362 0.88 CTSL (0.52) PNMTCTSLCTSVCTSSCTSB
Hydrochloric Acid SCHEMBL16289133 0.86 CTSL (0.51) PNMTCTSLCTSVCTSSCTSB
SCHEMBL21417402 0.86 PNMT (0.50) PNMTCTSLCTSVCTSSCTSB
SCHEMBL21417623 0.86 PNMT (0.54) PNMTCTSLCTSVCTSSCTSB
SCHEMBL16574832 0.85 PNMT (0.49) PNMTCTSLCTSVCTSSCTSB
SCHEMBL14942918 0.85 PNMT (0.49) PNMTCTSLCTSVCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-8440851-B2 Spatially-defined macrocyclic compounds useful for drug discovery TRANZYME PHARMA, INC. (CA) 2013-05-14 US disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 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 (11 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 PNMT 3878/4885CTSL 1073/4885CTSV 1471/4885
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP PNMT 2921/4885CTSL 139/4885CTSV 444/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 PNMT 3717/4885CTSL 2008/4885CTSV 1864/4885
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 PNMT 1930/4885CTSL 4163/4885CTSV 3515/4885
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 PNMT 1354/4885CTSL 688/4885CTSV 1483/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR PNMT 1794/4885CTSL 31/4885CTSV 179/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM PNMT 3742/4885CTSL 412/4885CTSV 881/4885
US-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP PNMT 1783/4885CTSL 653/4885CTSV 700/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 PNMT 1142/4885CTSL 1375/4885CTSV 2785/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 PNMT 2237/4885CTSL 35/4885CTSV 390/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP PNMT 1783/4885CTSL 653/4885CTSV 700/4885

“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.