SCHEMBL9649182

SCHEMBL9649182

CCCN1CCC[C@H]1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
LTA4H P09960 2/20 0.51
KCNK3 O14649 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 3/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
PEPD P12955 1/20 0.39

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
SCHEMBL10182480 1.00 FKBP1A (0.51) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL18482504 1.00 FKBP1A (0.51) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL13265439 0.95 KCNK3 (0.53) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL14115082 0.90 NR1I2 (0.54) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL15434618 0.90 NR1I2 (0.54) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL2770438 0.89 FKBP1A (0.47) FKBP1ALTA4HKCNK3LMNACYP3A4
SCHEMBL29020295 0.89 NR1I2 (0.50) FKBP1ALTA4HCYP3A4NR1I2POLB
SCHEMBL18831801 0.87 NR1I2 (0.49) FKBP1ALTA4HCYP3A4NR1I2POLB
SCHEMBL15920930 0.87 NR1I2 (0.49) FKBP1ALTA4HCYP3A4NR1I2POLB
SCHEMBL9659299 0.87 NR1I2 (0.49) FKBP1ALTA4HCYP3A4NR1I2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253785-B1 EFFICIENT STEREOCONSERVATIVE SYNTHESES OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THEREIN ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1992-11-11 EP claimed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD FKBP1A 2855/4885LTA4H 1555/4885KCNK3 4182/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS FKBP1A 1795/4885LTA4H 3469/4885KCNK3 4454/4885

“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.