SCHEMBL13168697

SCHEMBL13168697

CC1(C)Oc2cc(CNC3CC3)ccc2N(CCCCO)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PARP1 P09874 2/20 0.33

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
SCHEMBL13168799 0.92 ALDH1A1 (0.45) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL2809218 0.87 REN (0.44) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2809236 0.86 REN (0.43) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL2807782 0.78 REN (0.50) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL2805180 0.73 REN (0.48) ALDH1A1POLBKMT2AHPGDCYP3A4
SCHEMBL13434188 0.72 MAPT (0.46) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL13434196 0.71 MAPT (0.45) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL2812260 0.68 REN (0.48) POLBKMT2AHPGDCYP3A4CYP2D6
SCHEMBL8235590 0.68 ALDH1A1 (0.44) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL90317 0.68 ALDH1A1 (0.44) ALDH1A1GAAPOLBKMT2ASMN1; SMN2

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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885GAA 2117/4885POLB 2893/4885

“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.