SCHEMBL391090

SCHEMBL391090

CC(C)(C)COC(=O)N1CCN(c2cccc(Cl)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.51
▸ HTR3B O95264 3/20 0.51
▸ HTR3A P46098 3/20 0.51
▸ HTR3D Q70Z44 3/20 0.51
▸ HTR3C Q8WXA8 3/20 0.51
▸ GAA P10253 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL387707 0.86 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL391351 0.85 HRH3 (0.54) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL22391574 0.84 CKS1B (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL388013 0.81 TRPV1 (0.54) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL390463 0.80 GPR119 (0.57) L3MBTL1ALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL391564 0.78 SMO (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL389547 0.78 SMN1; SMN2 (0.56) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL21193436 0.77 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30803989 0.77 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29668733 0.76 GAA (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C HTR3E 586/4885HTR3B 233/4885HTR3A 383/4885

“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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