SCHEMBL13699638

SCHEMBL13699638

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR119 Q8TDV5 7/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41
STS P08842 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL13699555 0.87 HTT (0.52) SMN1; SMN2HTTNPSR1CNR1MAPT
SCHEMBL13699645 0.86 MEN1 (0.43) SMN1; SMN2HTTLMNAALDH1A1MEN1
SCHEMBL13699641 0.84 AKR1C3 (0.50) SMN1; SMN2HTTMAPTLMNAALDH1A1
SCHEMBL13699633 0.84 AKR1C3 (0.48) SMN1; SMN2HTTCNR1MAPTLMNA
SCHEMBL4154819 0.81 CNR1 (0.48) SMN1; SMN2HTTNPSR1CNR1LMNA
SCHEMBL13699635 0.81 MEN1 (0.41) MEN1KMT2A
SCHEMBL4177222 0.79 CNR1 (0.47) SMN1; SMN2HTTNPSR1CNR1LMNA
SCHEMBL38661618 0.79 MEN1 (0.46) SMN1; SMN2HTTNPSR1CNR1LMNA
SCHEMBL1458941 0.79 SMN1; SMN2 (0.70) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL13699644 0.76 AKR1C3 (0.49) SMN1; SMN2MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK SMN1; SMN2 422/4885HTT 2006/4885NPSR1 36/4885

“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.