SCHEMBL13041636

SCHEMBL13041636

CC(C)N1C(=O)N(C2CCCC2)Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 9/20 0.45
▸ RAMP1 O60894 1/20 0.41
▸ CALCRL Q16602 1/20 0.41
▸ OPRM1 P35372 4/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ OPRL1 P41146 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ PARP2 Q9UGN5 1/20 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
SCHEMBL13041624 0.94 C5AR1 (0.47) C5AR1RAMP1CALCRLOPRM1OPRK1
SCHEMBL7886985 0.77 C5AR1 (0.47) C5AR1
SCHEMBL13041644 0.76 OPRL1 (0.42) OPRM1OPRK1OPRL1RAB9AKMT2A
SCHEMBL13015326 0.75 BRD4 (0.42) OPRM1OPRK1OPRL1ALDH1A1KMT2A
SCHEMBL26661186 0.75 SMN1; SMN2 (0.39) ALDH1A1TSHRHTT
SCHEMBL13041641 0.73 BRD4 (0.41) OPRM1OPRK1OPRL1ALDH1A1PARP1
SCHEMBL13041646 0.72 MAPK1 (0.47) C5AR1NPC1ALDH1A1TSHRRAB9A
SCHEMBL13041632 0.72 IDH1 (0.37) C5AR1RAMP1CALCRLALDH1A1PARP1
SCHEMBL13041629 0.72 SMN1; SMN2 (0.36) C5AR1RAMP1CALCRLALDH1A1TSHR
SCHEMBL13041639 0.71 PARP1 (0.43) RAMP1CALCRLOPRM1OPRK1OPRL1

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 C5AR1 265/4885RAMP1 3380/4885CALCRL 3162/4885

“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.

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