SCHEMBL4536522

SCHEMBL4536522

O=C(CCBr)NCCc1c[nH]c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AANAT Q16613 1/20 0.80
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ MTNR1A P48039 2/20 0.73
▸ LMNA P02545 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ GFER P55789 1/20 0.66
▸ MMP9 P14780 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ SIRT1 Q96EB6 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ KDM1A O60341 1/20 0.61

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
SCHEMBL2440677 0.91 MEN1 (0.81) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL7677886 0.90 MEN1 (0.84) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL6424904 0.89 AANAT (0.75) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL6424908 0.89 AANAT (1.00) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL19051489 0.88 MEN1 (0.80) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL761481 0.88 MTNR1A (0.88) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL918966 0.86 MEN1 (0.78) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL918964 0.86 MEN1 (0.78) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL9117842 0.85 MEN1 (0.76) AANATMEN1KMT2AMTNR1ALMNA
SCHEMBL12762819 0.85 MEN1 (0.76) AANATMEN1KMT2AMTNR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 — — US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 — — US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 — — US disclosed
CN-101137645-A Arylpiperazine derivatives for the treatment of neuropsychiatric disorders UNIV SIENA (IT) 2008-03-05 — — CN 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 AANAT 42/4885MEN1 4547/4885KMT2A 1667/4885

“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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