SCHEMBL4892941

SCHEMBL4892941

CCOC(=O)[C@@H]1CCCN1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.49
ALDH1A1 P00352 10/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 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
SCHEMBL4454199 1.00 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL953015 0.98 FKBP1A (0.48) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5980951 0.98 FKBP1A (0.48) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4202767 0.83 FKBP1A (0.44) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL2731647 0.83 FKBP1A (0.44) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL11490824 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13601738 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11490823 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4893219 0.81 RAB9A (0.55) ALDH1A1MAPTKDM4ETSHRHTT
SCHEMBL5065864 0.80 CHRM2 (0.43) FKBP1AMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176923-A1 Proline Derivatives Used as Pharmaceutical Active Ingredients for the Treatment of Tumors SALAMA ZOSER B 2008-07-24 US disclosed
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 US disclosed
EP-1351951-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2002053555-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO 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-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 FKBP1A 2659/4885ALDH1A1 2427/4885MAPT 529/4885
US-20080176923-A1 Proline Derivatives Used as Pharmaceutical Active Ingredients for the Treatment of Tumors PREP, PRAP1, VHL FKBP1A 253/4885ALDH1A1 1543/4885MAPT 3804/4885

“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.