SCHEMBL5851706

SCHEMBL5851706

CCCc1cc2c(N3CCN(C(=O)O)C[C@@H]3C)nc(C)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
CNR2 P34972 3/20 0.40
GPR55 Q9Y2T6 1/20 0.37
P2RY12 Q9H244 5/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMO Q99835 6/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH2 Q12809 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL5266455 0.81 P2RY12 (0.43) HTR6P2RY12KDM4ESMOMEN1
SCHEMBL5270542 0.81 P2RY12 (0.43) HTR6P2RY12KDM4ESMOMEN1
SCHEMBL7050895 0.78 HTR6 (0.38) HTR6CNR2GPR55P2RY12ALDH1A1
SCHEMBL5848809 0.76 MEN1 (0.58) P2RY12ALDH1A1KDM4EMEN1MAPT
SCHEMBL7062060 0.76 MEN1 (0.58) P2RY12ALDH1A1KDM4EMEN1MAPT
SCHEMBL5849347 0.76 MEN1 (0.58) P2RY12ALDH1A1KDM4EMEN1MAPT
SCHEMBL5849276 0.76 CHRM1 (0.38) CNR2P2RY12ALDH1A1HSD17B10SMO
SCHEMBL5849281 0.75 CHRM1 (0.37) CNR2P2RY12ALDH1A1MEN1MAPT
SCHEMBL5849484 0.74 HTR6 (0.72) HTR6CNR2GPR55P2RY12MEN1
SCHEMBL7064279 0.69 MEN1 (0.65) P2RY12ALDH1A1KDM4EMEN1MAPT

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-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 HTR6 93/4885CNR2 195/4885GPR55 139/4885

“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.