SCHEMBL17835199

SCHEMBL17835199

CCC1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A2 P23975 1/20 0.49
P2RX7 Q99572 5/20 0.47
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
IL1B P01584 2/20 0.39
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36

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
SCHEMBL7896269 0.83 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2P2RX7KDM1A
SCHEMBL14893528 0.83 P2RX7 (0.50) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL21134568 0.83 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL12614285 0.81 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL29017393 0.78 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL29017368 0.78 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL14513169 0.77 ALDH1A1 (0.50) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL31525724 0.75 ALDH1A1 (0.54)
SCHEMBL24397813 0.74 OPRL1 (0.49) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL18717557 0.74 MAOA (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1

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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 SLC6A3 59/4885SLC6A4 43/4885SLC6A2 77/4885

“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.