SCHEMBL7211673

SCHEMBL7211673

COC(=O)[C@H](CN1C(=O)NC2(CCN(C(=O)O)CC2)C1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7394310 0.84 TDP1 (0.35) TACR1KMT2AMEN1LMNANPC1
SCHEMBL7211504 0.80 KYNU (0.48) KMT2AMEN1ALDH1A1
SCHEMBL7211759 0.79 NPC1 (0.39) TACR1KMT2AMEN1LMNANPC1
SCHEMBL7211679 0.77 TACR1 (0.33) TACR1KMT2AMEN1OPRL1GAA
SCHEMBL21753311 0.70 NPC1 (0.47) TACR1KMT2AMEN1LMNANPC1
SCHEMBL993145 0.69 ALDH1A1 (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL993439 0.69 ALDH1A1 (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL346218 0.69 ALDH1A1 (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL7018283 0.68 TACR1 (0.43) TACR1KMT2AMEN1LMNAALDH1A1
SCHEMBL7397329 0.68 KYNU (0.40) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TACR1 35/4885KMT2A 4726/4885MEN1 525/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TACR1 35/4885KMT2A 4726/4885MEN1 525/4885

“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.