SCHEMBL3012885

SCHEMBL3012885

N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccc(F)cc2)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.53
GPR84 Q9NQS5 2/20 0.51
AKT1 P31749 2/20 0.50
ROCK2 O75116 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50
AKT2 P31751 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
RPS6KA3 P51812 1/20 0.50
LIMK1 P53667 1/20 0.50
PRKCD Q05655 1/20 0.50
ROCK1 Q13464 1/20 0.50
DYRK1A Q13627 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
AKT3 Q9Y243 1/20 0.50
SCN9A Q15858 1/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL13244865 1.00 SSTR1 (0.53) SSTR1GPR84AKT1ROCK2PIM1
Hydrochloric Acid SCHEMBL3019998 0.99 SSTR1 (0.52) SSTR1GPR84AKT1ROCK2PIM1
SCHEMBL4244351 0.90 SSTR1 (0.63) SSTR1GPR84AKT1MAPTTDP1
SCHEMBL1928394 0.90 SSTR1 (0.63) SSTR1GPR84AKT1MAPTTDP1
SCHEMBL6430387 0.90 SSTR1 (0.63) SSTR1GPR84AKT1MAPTTDP1
Hydrochloric Acid SCHEMBL27472186 0.89 SSTR1 (0.62) SSTR1GPR84AKT1MAPTTDP1
Hydrochloric Acid SCHEMBL6723717 0.89 SSTR1 (0.62) SSTR1GPR84AKT1MAPTTDP1
SCHEMBL1926748 0.88 HTR2A (0.56) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL1926750 0.88 HTR2A (0.56) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL1926751 0.88 HTR2A (0.56) GPR84HTR2AHTR1AHTR2CSLC6A4

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-20100184799-A1 OXADIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 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-20100184799-A1 OXADIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 SSTR1 8/4885GPR84 200/4885AKT1 897/4885

“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.