SCHEMBL6186542

SCHEMBL6186542

Cc1cccc(N2CCN(C(=O)c3cnnc4ccccc34)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.56
HCRTR2 O43614 2/20 0.56
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 4/20 0.47
TSHR P16473 3/20 0.47
RCE1 Q9Y256 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 4/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 3/20 0.44

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
SCHEMBL6193746 0.80 HCRTR1 (0.55) HCRTR1HCRTR2KDM4ETSHRNPC1
SCHEMBL6233177 0.78 ACACB (0.53) PARP1KDM4ETSHRNPC1RAB9A
SCHEMBL13141982 0.75 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ETSHRRAB9A
SCHEMBL20339488 0.72 HTR3E (0.63) HCRTR1HCRTR2PARP1KDM4ENPC1
SCHEMBL4147974 0.72 POLB (0.51) HCRTR1HCRTR2KDM4ENPC1RAB9A
SCHEMBL6186684 0.72 SMN1; SMN2 (0.60) HCRTR1HCRTR2KDM4ETSHRLMNA
SCHEMBL1672568 0.72 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13118532 0.71 CHRM2 (0.48) HCRTR1HCRTR2KDM4EMAPK1TSHR
SCHEMBL6480598 0.71 PARP1 (0.48) PARP1KDM4EMAPK1TSHRRCE1
SCHEMBL14758421 0.70 ALDH1A1 (0.57) HCRTR1HCRTR2KDM4EMAPK1TSHR

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
JP-2005538968-A 2005-12-22 JP claimed
EP-1517898-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES Zentaris GmbH (DE) 2005-03-30 EP claimed
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 WO claimed
EP-1517898-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES Zentaris GmbH (DE) 2005-03-30 EP disclosed
US-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses ZENTARIS GMBH (DE) 2004-05-20 US disclosed
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 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-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses VHL, MYC, HCCS HCRTR1 308/4885HCRTR2 439/4885PARP1 2008/4885

“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.