SCHEMBL3840326

SCHEMBL3840326

CCC(CC)(CCC(C#N)(c1cccc(OC)c1)C(C)C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.41
ABCB1 P08183 9/20 0.41
ABCC1 P33527 4/20 0.41
KCNH2 Q12809 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 2/20 0.41
ABCB11 O95342 2/20 0.41
CACNA1F O60840 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
DRD3 P35462 2/20 0.41
SCN1A P35498 2/20 0.41

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
SCHEMBL7317596 0.77 CYP3A4 (0.43) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL7265656 0.76 ABCB1 (0.45) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9492143 0.75 SIGMAR1 (0.67) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL10452711 0.75 SIGMAR1 (0.67) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL10452583 0.74 SIGMAR1 (0.63) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9490429 0.74 SIGMAR1 (0.63) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9490479 0.74 SIGMAR1 (0.76) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9492153 0.71 ABCB1 (0.60) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9492147 0.71 ABCB1 (0.60) CYP3A4ABCB1ABCC1KCNH2TSHR
SCHEMBL9490484 0.70 ABCB1 (0.57) CYP3A4ABCB1ABCC1KCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514454-B2 Piperidin-2,6-dione pamoate salts and their use for the treatment of stress-related affective disorders PRESTWICK PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1420788-B1 NOVEL PIPERIDIN-2,6-DIONE BISULPHATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS PRESTWICK PHARMACEUTICALS INC (US) 2006-12-13 EP disclosed
EP-1539160-B1 PIPERIDIN-2,6-DIONE PAMOATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS PRESTWICK PHARMACEUTICALS INC (US) 2006-06-21 EP disclosed
US-20060025443-A1 Piperidin-2,6-dione pamoate salts and their use for the treatment of stress-related affective disorders BAUSCH HEALTH MAGYARORSZAG KFT (A/K/A BAUSCH HEALTH HUNGARY LLC) (HU) 2006-02-02 US disclosed
EP-1539160-A1 PIPERIDIN-2,6-DIONE PAMOATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS Prestwick Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
US-20040249159-A1 Novel piperidin-2,6-dione disulphate salts and their use for the treatment of stress related affective disorders BAUSCH & LOMB INCORPORATED 2004-12-09 US disclosed
EP-1420788-A1 NOVEL PIPERIDIN-2,6-DIONE BISULPHATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS Prestwick Pharmaceuticals, Inc. (US) 2004-05-26 EP disclosed
WO-2004017970-A1 PIPERIDIN-2,6-DIONE PAMOATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS PRESTWICK PHARMACEUTICALS, INC. (US) 2004-03-04 WO disclosed
WO-2003020275-A1 NOVEL PIPERIDIN-2,6-DIONE BISULPHATE SALTS AND THEIR USE FOR THE TREATMENT OF STRESS-RELATED AFFECTIVE DISORDERS PRESTWICK PHARMACEUTICALS, INC. (US) 2003-03-13 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-20040249159-A1 Novel piperidin-2,6-dione disulphate salts and their use for the treatment of stress related affective disorders EGLN2, EGLN3, HTR2C CYP3A4 1964/4885ABCB1 2726/4885ABCC1 2857/4885
US-20060025443-A1 Piperidin-2,6-dione pamoate salts and their use for the treatment of stress-related affective disorders PAM, HTR3B, HTR5A CYP3A4 1260/4885ABCB1 2863/4885ABCC1 3288/4885

“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.