SCHEMBL6409525

SCHEMBL6409525

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4cccnc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.48
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
THRB P10828 3/20 0.41
GHSR Q92847 1/20 0.41
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPT P10636 1/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 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 SCHEMBL6415242 0.99 CCR5 (0.48) CCR5POLBMEN1KMT2AALDH1A1
SCHEMBL6408495 0.97 CCR5 (0.50) CCR5POLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6415202 0.96 CCR5 (0.49) CCR5POLBMEN1KMT2AALDH1A1
SCHEMBL6410264 0.92 CCR5 (0.55) CCR5MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL6416494 0.92 MAPT (0.46) CCR5POLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6409167 0.91 CCR5 (0.55) CCR5MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL6413008 0.91 CCR5 (0.56) CCR5MEN1KMT2AALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL6408952 0.91 MAPT (0.46) CCR5POLBMEN1KMT2AALDH1A1
SCHEMBL6408517 0.91 SIGMAR1 (0.42) CCR5SIGMAR1ROCK2ROCK1HTR1A
Hydrochloric Acid SCHEMBL6409470 0.91 CCR5 (0.55) CCR5MEN1KMT2AALDH1A1SIGMAR1

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 CCR5 4/4885POLB 3564/4885MEN1 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.