SCHEMBL21134568

SCHEMBL21134568

CC(C)CC1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 1/20 0.46
P2RX7 Q99572 4/20 0.45
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
HTT P42858 1/20 0.37
IL1B P01584 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.36
EBP Q15125 1/20 0.35
CETP P11597 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL17835199 0.83 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL7896269 0.80 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2P2RX7MAOA
SCHEMBL14893528 0.80 P2RX7 (0.50) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL19368162 0.79 ICMT (0.46) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL29017393 0.74 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL21038542 0.74 OPRM1 (0.40) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL29017368 0.74 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL24397813 0.70 OPRL1 (0.49) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL18717557 0.70 MAOA (0.46) SLC6A3SLC6A4SLC6A2P2RX7OPRM1
SCHEMBL19368173 0.70 ICMT (0.41) SLC6A3SLC6A4SLC6A2MAOAMAOB

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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 SLC6A3 57/4885SLC6A4 49/4885SLC6A2 68/4885

“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.