SCHEMBL6408850

SCHEMBL6408850

O=C1N(Cc2ccncc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.60
OPRL1 P41146 3/20 0.46
OPRM1 P35372 1/20 0.45
CCR5 P51681 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KCNA3 P22001 2/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR3 P51677 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 SCHEMBL6413680 0.99 CCR2 (0.59) CCR2OPRL1OPRM1CCR5TSHR
Hydrochloric Acid SCHEMBL6409309 0.89 CCR2 (0.50) CCR2OPRL1TSHRUSP2TP53
SCHEMBL6410623 0.88 HCRTR2 (0.51) CCR2OPRL1OPRM1KDM4EHCRTR1
Hydrochloric Acid SCHEMBL6414690 0.87 HCRTR2 (0.50) CCR2OPRL1OPRM1KDM4EHCRTR1
SCHEMBL6409656 0.86 CCR5 (0.47) CCR2OPRL1OPRM1CCR5KCNA3
SCHEMBL6409502 0.86 OPRL1 (0.46) CCR2OPRL1OPRM1CCR5KCNA3
SCHEMBL6408947 0.85 OPRL1 (0.46) CCR2OPRL1OPRM1CCR5KCNA3
Hydrochloric Acid SCHEMBL6415467 0.85 CCR5 (0.46) CCR2OPRL1OPRM1CCR5KCNA3
SCHEMBL6417670 0.84 OPRL1 (0.47) CCR2OPRL1OPRM1CCR5KCNA3
SCHEMBL6410433 0.84 DRD2 (0.47) CCR2OPRL1OPRM1KCNA3HCRTR1

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 CCR2 5/4885OPRL1 151/4885OPRM1 244/4885

“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.