SCHEMBL4526141

SCHEMBL4526141

COc1cccc(N2CCN(CCC(=O)NCCc3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
DRD3 P35462 1/20 0.64
ALDH1A1 P00352 1/20 0.57
DRD2 P14416 1/20 0.55
HRH1 P35367 1/20 0.55
HTR7 P34969 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
MTNR1A P48039 3/20 0.54
MTNR1B P49286 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
HTR1D P28221 1/20 0.52

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
SCHEMBL4524572 0.89 BCHE (0.58) HTR1AHTR2AHTR2CDRD3MAPT
SCHEMBL27715387 0.84 MEN1 (0.69) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL9304042 0.80 KMT2A (0.67) MAPTCDK4CCND1MTNR1AMTNR1B
SCHEMBL7852870 0.78 GFER (0.65) MAPTCDK4CCND1MTNR1AMTNR1B
SCHEMBL4528671 0.78 DRD3 (1.00) HTR1AHTR2AHTR2CDRD3DRD2
SCHEMBL11483618 0.77 KMT2A (0.68) MAPTCDK4CCND1MTNR1AMTNR1B
SCHEMBL9263885 0.75 ADRA2A (0.70) HTR1A
SCHEMBL9697746 0.75 ADRA2A (0.70) HTR1A
SCHEMBL28784875 0.74 MAPT (0.69) HTR1ADRD2HTR7TP53MAPT
SCHEMBL9266560 0.74 ADRA2A (0.71)

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 6 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 claimed
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
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 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 (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 HTR1A 15/4885HTR2A 2/4885HTR2C 1/4885

“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.