SCHEMBL9106829

SCHEMBL9106829

COc1ccc(N2C(=O)CC[C@H]2C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.47
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
METAP2 P50579 1/20 0.38
SRD5A1 P18405 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL9106827 1.00 HTR7 (0.47) HTR7KMT2ATDP1HTR3EHTR3B
SCHEMBL9106388 0.82 HTR7 (0.48) HTR7
SCHEMBL9106386 0.82 HTR7 (0.48) HTR7
SCHEMBL9107636 0.80 TDP1 (0.59) KMT2ATDP1LMNAMEN1ALDH1A1
SCHEMBL9107624 0.80 TDP1 (0.59) KMT2ATDP1LMNAMEN1ALDH1A1
SCHEMBL19974915 0.75 KMT2A (0.45) HTR7KMT2AALDH1A1
SCHEMBL9103271 0.75 HDAC1 (0.41) HTR7TDP1HPGDL3MBTL1
SCHEMBL9108258 0.74 IDH1 (0.43) KMT2ATDP1LMNAMEN1ALDH1A1
SCHEMBL9108249 0.74 IDH1 (0.43) KMT2ATDP1LMNAMEN1ALDH1A1
SCHEMBL10343397 0.72 GAA (0.53) KMT2ALMNAMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HTR7 314/4885KMT2A 3551/4885TDP1 4464/4885

“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.