SCHEMBL6410433

SCHEMBL6410433

O=C1N(Cc2ccc(-n3cccn3)cc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HCRTR2 O43614 6/20 0.44
HCRTR1 O43613 4/20 0.44
CCR2 P41597 4/20 0.43
OPRL1 P41146 2/20 0.41
CHRM1 P11229 4/20 0.41
OPRM1 P35372 1/20 0.40
CCR3 P51677 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KCNA3 P22001 1/20 0.38

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
Hydrochloric Acid SCHEMBL6411204 0.99 DRD2 (0.47) DRD2DRD4DRD3HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL6409178 0.92 DRD2 (0.46) DRD2DRD4DRD3HCRTR2HCRTR1
SCHEMBL6408850 0.84 CCR2 (0.60) HCRTR2HCRTR1CCR2OPRL1OPRM1
Hydrochloric Acid SCHEMBL6413680 0.83 CCR2 (0.59) HCRTR2HCRTR1CCR2OPRL1OPRM1
SCHEMBL6409656 0.82 CCR5 (0.47) HCRTR2HCRTR1CCR2OPRL1OPRM1
SCHEMBL6409502 0.82 OPRL1 (0.46) HCRTR2HCRTR1CCR2OPRL1OPRM1
SCHEMBL6408947 0.81 OPRL1 (0.46) CCR2OPRL1OPRM1CCR3KCNA3
Hydrochloric Acid SCHEMBL6415467 0.81 CCR5 (0.46) HCRTR2HCRTR1CCR2OPRL1OPRM1
SCHEMBL6417670 0.81 OPRL1 (0.47) CCR2OPRL1OPRM1CCR3KCNA3
Hydrochloric Acid SCHEMBL6409951 0.80 OPRL1 (0.46) CCR2OPRL1OPRM1CCR3KCNA3

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 claimed

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 DRD2 1775/4885DRD4 1912/4885DRD3 1068/4885

“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.