SCHEMBL5369952

SCHEMBL5369952

COC(=O)C1(Cc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.45
CCR5 P51681 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL21383661 0.88 FPR2 (0.44) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL19368509 0.87 LMNA (0.54) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL15960834 0.86 TACR1 (0.50) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL17535986 0.86 LMNA (0.67) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL1003120 0.85 LMNA (0.50) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL18203100 0.84 L3MBTL1 (0.63) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL1002715 0.84 PKM (0.55) LMNAKDM4E
SCHEMBL21384089 0.84 ALDH1A1 (0.41) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3485621 0.83 AVPR1A (0.44) LMNAKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL30683842 0.83 TACR1 (0.48) LMNAKMT2AHTTSMN1; SMN2MEN1

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-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 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-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 LMNA 3004/4885KMT2A 4263/4885HTT 1829/4885

“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.