SCHEMBL10137660

SCHEMBL10137660

C[C@H](C(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.47
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ACE P12821 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 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
SCHEMBL14900911 1.00 GRM7 (0.47) GRM7GAAMAPTACEHRH3
SCHEMBL7303838 1.00 GRM7 (0.47) GRM7GAAMAPTACEHRH3
SCHEMBL2480890 0.88 MTNR1A (0.47) GRM7ACEMTNR1AMTNR1B
SCHEMBL13954109 0.84 GRM7 (0.44) GRM7GAAMAPTACEHRH3
SCHEMBL16823636 0.80 MTNR1A (0.48) GRM7GAAMAPTMTNR1AMTNR1B
SCHEMBL8982206 0.78 NPC1 (0.49) MAPT
SCHEMBL16595663 0.78 GAA (0.43) GRM7GAAMAPTMTNR1AMTNR1B
SCHEMBL1598443 0.76 OPRD1 (0.44) GRM7
SCHEMBL1310270 0.76 OPRD1 (0.44) GRM7
SCHEMBL31537535 0.76 OPRD1 (0.44) GRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-8343458-B2 Probes for in vivo targeting of active cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-01-01 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP GRM7 4708/4885GAA 725/4885MAPT 4113/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL GRM7 4705/4885GAA 329/4885MAPT 2276/4885

“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.