SCHEMBL6410484

SCHEMBL6410484

O=C1N(Cc2ccc(Br)cc2)CCC12CCN(CCC(O)c1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
HTR1A P08908 6/20 0.44
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CCR3 P51677 1/20 0.40
CCR5 P51681 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6409656 0.90 CCR5 (0.47) HSD11B1LMNANPSR1CCR3CCR5
Hydrochloric Acid SCHEMBL6415467 0.89 CCR5 (0.46) HSD11B1LMNANPSR1CCR3CCR5
SCHEMBL5410651 0.88 LMNA (0.43) HSD11B1LMNANPSR1CCR3CCR5
SCHEMBL6415563 0.87 HSD11B1 (0.45) HSD11B1LMNANPSR1CCR3CCR5
SCHEMBL6411982 0.87 HSD11B1 (0.43) IGF1RHSD11B1LMNANPSR1CCR3
Hydrochloric Acid SCHEMBL6409417 0.86 HSD11B1 (0.42) IGF1RHSD11B1LMNANPSR1CCR3
Hydrochloric Acid SCHEMBL6416497 0.86 HSD11B1 (0.42) IGF1RHSD11B1LMNANPSR1CCR3
Hydrochloric Acid SCHEMBL6409958 0.86 HSD11B1 (0.44) HSD11B1LMNANPSR1CCR3CCR5
SCHEMBL6409590 0.86 LMNA (0.42) HSD11B1LMNANPSR1CCR3CCR5
SCHEMBL6411476 0.85 OPRL1 (0.51) HSD11B1CCR3CCR5

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 IGF1R 2464/4885HTR1A 1039/4885HSD11B1 120/4885

“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.