SCHEMBL6508899

SCHEMBL6508899

CC(C)(C)[C@@]1(C(=O)NCc2ccccc2)CCCN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.47
METAP2 P50579 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL5173018 1.00 OPRL1 (0.47) OPRL1METAP2KMT2AMEN1TSHR
SCHEMBL2700026 0.81 CYP1A2 (0.39) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL617771 0.80 KMT2A (0.33) KMT2A
SCHEMBL23247913 0.80 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2OPRM1ALDH1A1
SCHEMBL1273336 0.78 HPGD (0.46) OPRL1METAP2KMT2AMEN1TSHR
SCHEMBL17007539 0.76 SMN1; SMN2 (0.43) KMT2AMEN1TSHRL3MBTL1SMN1; SMN2
SCHEMBL1982112 0.75 NPSR1 (0.39) KMT2AMEN1TSHRL3MBTL1SMN1; SMN2
SCHEMBL14968931 0.74 TSHR (0.46) OPRL1METAP2KMT2AMEN1TSHR
SCHEMBL17801011 0.74 DGAT1 (0.33)
SCHEMBL1273271 0.74 MMP1 (0.42) OPRL1KMT2AMEN1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 OPRL1 590/4885METAP2 412/4885KMT2A 3470/4885

“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.