SCHEMBL6410036

SCHEMBL6410036

COC(=O)c1ccc(CN2CCC3(CCN(CCC(c4ccccc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.55
KCNA3 P22001 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
OPRL1 P41146 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
OPRM1 P35372 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CCR2 P41597 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41

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 SCHEMBL6409262 0.99 CCR5 (0.54) CCR5KCNA3MEN1KMT2AL3MBTL1
SCHEMBL6417670 0.89 OPRL1 (0.47) CCR5KCNA3OPRL1OPRM1CCR2
Hydrochloric Acid SCHEMBL6409951 0.88 OPRL1 (0.46) CCR5KCNA3OPRL1OPRM1CCR2
SCHEMBL5307506 0.86 CCR5 (0.50) CCR5KCNA3OPRL1CCR2
SCHEMBL6410455 0.84 CCR5 (0.55) CCR5KCNA3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5304845 0.83 CCR5 (0.54) CCR5KCNA3MEN1KMT2AALDH1A1
SCHEMBL6408947 0.83 OPRL1 (0.46) CCR5KCNA3MEN1KMT2AOPRL1
SCHEMBL6409656 0.82 CCR5 (0.47) CCR5KCNA3MEN1KMT2AOPRL1
SCHEMBL6409502 0.82 OPRL1 (0.46) CCR5KCNA3MEN1KMT2AOPRL1
Hydrochloric Acid SCHEMBL6415467 0.81 CCR5 (0.46) CCR5KCNA3MEN1KMT2AOPRL1

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed
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 CCR5 4/4885KCNA3 2165/4885MEN1 4007/4885

“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.