SCHEMBL10192549

SCHEMBL10192549

O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)c1ccon1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL3347092 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3334156 0.81 EPHX1 (0.46) NPC1RAB9AEPHX1GAAKMT2A
SCHEMBL3327579 0.81 PTPN2 (0.51) NPC1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL3333820 0.81 MAPT (0.46) NPC1RAB9AMAPTTSHRABL1
SCHEMBL28212694 0.79 MTNR1A (0.72) HTTRXFP1POLBNPC1TP53
SCHEMBL3367312 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL14108403 0.76 MLLT1 (0.47) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL3366862 0.76 NPY5R (0.51) NPC1RAB9A
Hydrochloric Acid SCHEMBL28847292 0.75 MLLT1 (0.46) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL3343347 0.75 JAK2 (0.48) POLBHPGDSMN1; SMN2USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R HTT 2338/4885RXFP1 25/4885POLB 4701/4885

“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.