SCHEMBL6414577

SCHEMBL6414577

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HCRTR2 O43614 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
THRB P10828 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 SCHEMBL6414565 0.99 POLB (0.47) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6409576 0.93 MAPT (0.52) POLBMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6409569 0.93 MAPT (0.51) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6409403 0.92 MAPT (0.41) POLBMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6409401 0.91 MAPT (0.40) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6417321 0.90 ALDH1A1 (0.48) POLBMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6417316 0.90 ALDH1A1 (0.47) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6414737 0.90 CCR5 (0.41) POLBALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6414732 0.89 CCR5 (0.40) POLBALDH1A1KMT2AMEN1
SCHEMBL6409263 0.87 ROCK2 (0.49) POLBMAPTALDH1A1KMT2AMEN1

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 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 POLB 3564/4885MAPT 4525/4885ALDH1A1 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.