SCHEMBL10114020

SCHEMBL10114020

CCC(CC)C(=O)Nc1ccc2oc3ccccc3c2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 4/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL10133341 0.73 MAOA (0.42) TSHRKDM4EMAPTCYP2C9KMT2A
SCHEMBL10113780 0.72 HTT (0.41) HPGDALDH1A1NPSR1KDM4EMAPT
SCHEMBL10113520 0.70 HTT (0.41) HPGDALDH1A1NPSR1KDM4EMAPT
SCHEMBL12882775 0.69 KMT2A (0.41) HPGDALDH1A1NPSR1TSHRKDM4E
SCHEMBL20246775 0.68 TP53 (0.50) HPGDALDH1A1NPSR1TSHRKDM4E
SCHEMBL11934962 0.68 RAD52 (0.47) HPGDALDH1A1KDM4EMAPTCYP2C9
SCHEMBL13677597 0.67 MAOA (0.46) ALDH1A1TSHRKDM4EMAPK1MAPT
SCHEMBL28967393 0.67 MAOA (0.56) HPGDALDH1A1TSHRKDM4EMAPK1
SCHEMBL13565016 0.67 GRIA1 (0.40) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL13397180 0.67 MAOA (0.43) ALDH1A1KDM4EMAPK1MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885ALDH1A1 4599/4885NPSR1 8/4885

“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.