SCHEMBL17604121

SCHEMBL17604121

CC(C)CC(CO)Nc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL17604111 0.81 HTT (0.47) CNR1MEN1KMT2AMAPK1MAPT
SCHEMBL17604274 0.77 ALDH1A1 (0.50) MEN1KMT2AMAPK1MAPTNPSR1
SCHEMBL1167951 0.77 ALDH1A1 (0.50) MEN1KMT2AMAPK1MAPTNPSR1
SCHEMBL14266773 0.77 ALDH1A1 (0.39) CNR1MEN1KMT2AMAPK1MAPT
SCHEMBL10761854 0.76 SMN1; SMN2 (0.46) MEN1KMT2AMAPK1MAPTNPSR1
SCHEMBL5127357 0.76 ALDH1A1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL5127362 0.76 ALDH1A1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL9339153 0.74 MEN1 (0.45) MEN1KMT2AMAPK1MAPTNPSR1
SCHEMBL11198315 0.72 ALDH1A1 (0.57) MAPK1MAPTHTTLMNAALDH1A1
SCHEMBL11198311 0.72 ALDH1A1 (0.57) MAPK1MAPTHTTLMNAALDH1A1

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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A CNR1 1872/4885MEN1 4128/4885KMT2A 2768/4885

“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.