SCHEMBL6412938

SCHEMBL6412938

O=C1N(Cc2ccccn2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.52
HCRTR2 O43614 1/20 0.49
ALDH1A1 P00352 2/20 0.47
OPRL1 P41146 4/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 4/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KCNA3 P22001 1/20 0.40
ACHE P22303 1/20 0.40

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 SCHEMBL6415944 0.99 EGLN1 (0.51) EGLN1HCRTR2ALDH1A1OPRL1DDB1
Hydrochloric Acid SCHEMBL6414531 0.89 EGLN1 (0.48) EGLN1HCRTR2ALDH1A1OPRL1DDB1
SCHEMBL6408850 0.83 CCR2 (0.60) HCRTR2ALDH1A1OPRL1KDM4EOPRM1
SCHEMBL6409124 0.83 CCR5 (0.43) EGLN1HCRTR2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL6413680 0.82 CCR2 (0.59) HCRTR2ALDH1A1OPRL1KDM4EOPRM1
SCHEMBL6410623 0.81 HCRTR2 (0.51) HCRTR2ALDH1A1OPRL1KDM4EOPRM1
Hydrochloric Acid SCHEMBL6414690 0.80 HCRTR2 (0.50) HCRTR2ALDH1A1OPRL1KDM4EOPRM1
SCHEMBL6409656 0.79 CCR5 (0.47) HCRTR2OPRL1OPRM1CCR2LMNA
SCHEMBL6409502 0.79 OPRL1 (0.46) HCRTR2OPRL1OPRM1OPRD1CCR2
SCHEMBL6408789 0.78 CCR3 (0.55) OPRL1SIGMAR1OPRM1LMNAKCNA3

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 EGLN1 2490/4885HCRTR2 247/4885ALDH1A1 869/4885

“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.