SCHEMBL18156897

SCHEMBL18156897

CC(C)(OCCC1CC1)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 1/20 0.33
MAOB P27338 2/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
SLC22A1 O15245 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
TP53 P04637 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL18156896 0.78 MAPT (0.46) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL16799608 0.77 NFE2L2 (0.44) NFE2L2MCHR1MAOB
SCHEMBL18156894 0.75 MAPT (0.47) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL18156893 0.74 MAPT (0.48) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2562093 0.71 NFE2L2 (0.83) NFE2L2NPC1MAPTRAB9AALDH1A1
SCHEMBL18156898 0.70 MAOB (0.50) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL20423878 0.70 NFE2L2 (0.55) NFE2L2MCHR1MAOBNR1I2
SCHEMBL779949 0.66 ALDH1A1 (0.50) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL8386328 0.66 MAPK1 (0.42) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL13963783 0.66 ALDH1A1 (0.37) ALDH1A1

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-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB NFE2L2 2560/4885NPC1 1281/4885MAPT 4664/4885

“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.