SCHEMBL5858744

SCHEMBL5858744

CC(CCN1CCC(n2cnc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.68
SLC6A4 P31645 1/20 0.68
TACR2 P21452 1/20 0.53
CCR5 P51681 5/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5858616 0.89 DRD2 (0.69) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5857960 0.89 DRD2 (0.54) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5860221 0.88 SLC6A4 (0.53) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5858702 0.88 DRD2 (0.53) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5858680 0.87 DRD2 (0.52) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5860261 0.87 SLC6A4 (0.52) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5858700 0.87 TACR2 (0.52) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5857996 0.86 SLC6A4 (0.50) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5860217 0.85 DRD2 (0.50) DRD2SLC6A4TACR2CCR5CYP2D6
SCHEMBL5857199 0.85 DRD2 (0.49) DRD2SLC6A4TACR2CCR5CYP2D6

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-6989393-B2 Ccr5 modulators benzimidazoles or benzotriazoles ASTRAZENECA AB (SE) 2006-01-24 US disclosed
US-20030119869-A1 Ccr5 modulators benzimidazoles or benzotriazoles ASTRAZENECA AB (SE) 2003-06-26 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-20030119869-A1 Ccr5 modulators benzimidazoles or benzotriazoles CCR5, CCR2, CXCR4 DRD2 1216/4885SLC6A4 696/4885TACR2 88/4885

“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.