SCHEMBL5460664

SCHEMBL5460664

CCC(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.53
SMYD3 Q9H7B4 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
GRIN2B Q13224 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
EPHX2 P34913 1/20 0.48
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL10464245 0.88 HTR1A (0.52) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL18153040 0.88 CA9 (0.51) CRBNSMYD3HDAC6NPC1MAPT
SCHEMBL4304359 0.86 EPHX2 (0.62) SMYD3GRIN2BHTR1AHTR2AHTR7
SCHEMBL10461840 0.86 HTR7 (0.55) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL7341659 0.85 SMYD3 (0.54) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL2641171 0.85 CRBN (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL2641172 0.85 CRBN (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL1145012 0.85 ALDH1A1 (0.55) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL1198034 0.85 CRBN (0.51) CRBNSMYD3HDAC3HDAC4HDAC1
SCHEMBL10463736 0.85 HTR1A (0.54) CRBNSMYD3HDAC3HDAC4HDAC1

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
EP-1286966-B1 4-AMINOPIPERIDINE DERIVATIVES AND THEIR USE AS MEDICINE SOD CONSEILS RECH APPLIC (FR) 2008-07-16 EP disclosed
US-20070185168-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-09 US disclosed
EP-1736474-A1 PIPERIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-27 EP disclosed
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 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-20070185168-A1 Piperidine derivatives GRIN2C, GRIN1, GRIN3A CRBN 919/4885SMYD3 1635/4885HDAC3 160/4885

“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.