SCHEMBL6409403

SCHEMBL6409403

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.39
UTS2R Q9UKP6 4/20 0.39
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.38
CCR1 P32246 1/20 0.36
NAMPT P43490 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR5 P51681 1/20 0.35

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 SCHEMBL6409401 0.99 MAPT (0.40) MAPTMEN1KMT2AHCRTR2ALDH1A1
SCHEMBL6417656 0.93 POLB (0.41) MAPTHCRTR2ALDH1A1GAAUTS2R
Hydrochloric Acid SCHEMBL6417648 0.92 POLB (0.41) MAPTHCRTR2ALDH1A1GAAUTS2R
SCHEMBL6412131 0.92 MAPT (0.44) MAPTMEN1KMT2AHCRTR2ALDH1A1
SCHEMBL6414577 0.92 POLB (0.48) MAPTMEN1KMT2AHCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL5252466 0.91 MAPT (0.43) MAPTMEN1KMT2AHCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL6414565 0.91 POLB (0.47) MAPTMEN1KMT2AHCRTR2ALDH1A1
SCHEMBL6410165 0.89 HCRTR2 (0.41) MAPTMEN1KMT2AHCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL6409994 0.89 HCRTR2 (0.41) HCRTR2ALDH1A1GAAUTS2RPOLB
Hydrochloric Acid SCHEMBL5249454 0.89 HCRTR2 (0.41) MAPTMEN1KMT2AHCRTR2ALDH1A1

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 MAPT 4525/4885MEN1 4007/4885KMT2A 4587/4885

“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.