SCHEMBL3863834

SCHEMBL3863834

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ HPGD P15428 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ TP53 P04637 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ STS P08842 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ADRB2 P07550 1/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL6182303 0.96 ALDH1A1 (0.63) KMT2ATSHRMEN1HPGDALDH1A1
SCHEMBL8210703 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL9058559 0.88 KMT2A (0.58) KMT2ATSHRMEN1HPGDALDH1A1
SCHEMBL14497203 0.86 ALDH1A1 (0.58) KMT2ATSHRMEN1HPGDALDH1A1
SCHEMBL20274773 0.85 TP53 (0.50) KMT2ATSHRMEN1TP53THRB
SCHEMBL2862442 0.85 ALDH1A1 (0.60) KMT2ATSHRMEN1ALDH1A1TP53
SCHEMBL18608789 0.84 MEN1 (0.58) KMT2AMEN1TP53SMN1; SMN2MAPT
SCHEMBL17523583 0.83 HRH3 (0.48) KMT2ATSHRMEN1HPGDALDH1A1
SCHEMBL6981012 0.82 SMN1; SMN2 (0.65) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL1939593 0.82 SMN1; SMN2 (0.65) KMT2AMEN1HPGDALDH1A1SMN1; SMN2

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 KMT2A 371/4885TSHR 2805/4885MEN1 4451/4885

“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.

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