SCHEMBL3857712

SCHEMBL3857712

CC(C)(C)OC(=O)N1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
GPR119 Q8TDV5 11/20 0.53
RECQL P46063 1/20 0.51
EGLN2 Q96KS0 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5235667 0.88 ALDH1A1 (0.57) GPR119EGLN2ALDH1A1MAPTLMNA
SCHEMBL2471189 0.85 MAPT (0.62) GPR119EGLN2ALDH1A1MAPTLMNA
SCHEMBL3486554 0.84 GPR119 (0.73) GPR119
SCHEMBL5211568 0.82 GPR119 (0.74) GPR119EGLN2ALDH1A1MAPTLMNA
SCHEMBL24990167 0.82 EGLN2 (0.63) GPR119EGLN2CTSSCTSKALDH1A1
SCHEMBL22914841 0.81 GPR119 (0.50) GPR119EGLN2ALDH1A1MAPTLMNA
SCHEMBL3861807 0.81 HRH3 (0.62) CTSSCTSKALDH1A1MAPTMEN1
SCHEMBL6182019 0.80 GPR119 (0.60) HPGDGPR119RECQLALDH1A1MAPT
Hydrochloric Acid SCHEMBL3881766 0.80 HRH3 (0.61) CTSSCTSKALDH1A1MAPTMEN1
SCHEMBL3861953 0.79 HRH3 (0.57) CTSSCTSKALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C HPGD 1179/4885GPR119 1784/4885RECQL 3921/4885

“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.