SCHEMBL14012805

SCHEMBL14012805

CO[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.51
▸ MAPT P10636 1/20 0.46
▸ GBA1 P04062 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.41
▸ SPHK2 Q9NRA0 2/20 0.41
▸ SPHK1 Q9NYA1 2/20 0.41
▸ LMNA P02545 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
SCHEMBL14012809 1.00 SIGMAR1 (0.51) SIGMAR1MAPTGBA1HDAC11SPHK2
SCHEMBL15593209 1.00 SIGMAR1 (0.51) SIGMAR1MAPTGBA1HDAC11SPHK2
SCHEMBL5372095 0.87 MAPT (0.43) SIGMAR1MAPT
SCHEMBL16399825 0.86 SIGMAR1 (0.46) SIGMAR1MAPTGBA1HDAC11
SCHEMBL14570526 0.85 CFB (0.39) SIGMAR1MAPTGBA1SPHK2SPHK1
SCHEMBL29105856 0.84 CTSL (0.49) SIGMAR1MAPTGBA1HDAC11SPHK2
SCHEMBL14038287 0.83 SIGMAR1 (0.37) SIGMAR1MAPTGBA1SPHK2SPHK1
SCHEMBL22399622 0.81 HDAC11 (0.43) SIGMAR1MAPTGBA1HDAC11SPHK2
SCHEMBL31309170 0.80 SIGMAR1 (0.42) SIGMAR1MAPTGBA1HDAC11SPHK2
SCHEMBL18387532 0.80 SIGMAR1 (0.42) SIGMAR1MAPTGBA1HDAC11SPHK2

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-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 — — US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 — — US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 — — US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 — — 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-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SIGMAR1 3990/4885MAPT 1182/4885GBA1 2573/4885

“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.

Send feedback