SCHEMBL6348596

SCHEMBL6348596

C[C@@H](N)CC(c1ccc(Cl)cc1)c1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRB2 P07550 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PNMT P11086 1/20 0.38
AOC3 Q16853 1/20 0.38
OPRL1 P41146 2/20 0.37
GBA1 P04062 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL14415589 0.89 IDO1 (0.46) SLC6A2SLC6A3CNR2IDO1TDO2
SCHEMBL6001243 0.89 IDO1 (0.46) SLC6A2SLC6A3CNR2IDO1TDO2
SCHEMBL14415587 0.89 IDO1 (0.46) SLC6A2SLC6A3CNR2IDO1TDO2
Hydrochloric Acid SCHEMBL4559164 0.82 IDO1 (0.50) SLC6A2SLC6A3ADRB2IDO1TDO2
SCHEMBL14415581 0.79 PNMT (0.55) SLC6A2SLC6A3ADRB2PNMTAOC3
SCHEMBL14415580 0.79 PNMT (0.55) SLC6A2SLC6A3ADRB2PNMTAOC3
SCHEMBL14415582 0.79 PNMT (0.55) SLC6A2SLC6A3ADRB2PNMTAOC3
SCHEMBL17519152 0.76 OPRL1 (0.43) ADRB2IDO1TDO2AOC3OPRL1
Hydrochloric Acid SCHEMBL11404032 0.76 ALDH1A1 (0.42) SLC6A2SLC6A3OPRK1SLC6A4
Hydrochloric Acid SCHEMBL11404035 0.76 ALDH1A1 (0.42) SLC6A2SLC6A3OPRK1SLC6A4

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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 SLC6A2 1806/4885SLC6A3 1927/4885ADRB2 38/4885

“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.