SCHEMBL17299161

SCHEMBL17299161

Cc1ccc(OCF)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2A6 P11509 3/20 0.41
▸ IDO1 P14902 2/20 0.38
▸ DRD1 P21728 6/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ EP300 Q09472 1/20 0.33

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
SCHEMBL8229480 0.82 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1LMNAHPGD
SCHEMBL16852473 0.79 SLC2A1 (0.49) CYP1A2CYP2A6IDO1ALDH1A1LMNA
SCHEMBL25638485 0.78 CNR1 (0.51) CYP1A2CYP2A6IDO1ALDH1A1SMN1; SMN2
SCHEMBL14396287 0.77 IDO1 (0.66) CYP1A2CYP2A6IDO1ALDH1A1SMN1; SMN2
SCHEMBL7835082 0.77 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1LMNAHPGD
SCHEMBL9613956 0.77 CYP1A2 (0.48) CYP1A2CYP2A6IDO1ALDH1A1GPR84
SCHEMBL12460239 0.77 CNR1 (0.52) CYP1A2IDO1ALDH1A1LMNAMAPT
SCHEMBL16065361 0.77 CYP1A2 (0.48) CYP1A2CYP2A6IDO1GPR84HPGD
SCHEMBL15984223 0.76 CYP1A2 (0.46) CYP1A2CYP2A6IDO1ALDH1A1LMNA
SCHEMBL18949728 0.74 HTR1B (0.63) CYP1A2DRD1ALDH1A1DRD2DRD4

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-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 — — US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 — — 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-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CYP1A2 622/4885CYP2A6 770/4885IDO1 1603/4885

“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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