SCHEMBL720601

SCHEMBL720601

CCc1cnc(OC2CCC(C(=O)NCCCC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 5/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL717665 0.72 KMT2A (0.43) KMT2AMEN1NPC1LMNA
SCHEMBL720806 0.68 ACACB (0.40) ALDH1A1
SCHEMBL720580 0.68 GPR119 (0.38)
SCHEMBL719749 0.67 KMT2A (0.51) ALDH1A1KMT2ATSHRLMNAPOLB
SCHEMBL2774875 0.64 GPR119 (0.51)
SCHEMBL719387 0.63 PDE10A (0.35)
SCHEMBL721431 0.63 ACACB (0.35)
SCHEMBL17447522 0.63 TDP1 (0.59) ALDH1A1KMT2ATSHRMEN1NPSR1
SCHEMBL719558 0.61 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRMEN1NPC1
SCHEMBL19177078 0.61 L3MBTL1 (0.62) ALDH1A1KMT2ATSHRMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR ALDH1A1 1093/4885KMT2A 3229/4885TSHR 548/4885

“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.