SCHEMBL6412985

SCHEMBL6412985

O=C(Cc1cccc(Cl)c1)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.40
HCRTR1 O43613 3/20 0.40
MAPT P10636 1/20 0.40
CCR5 P51681 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
PLD2 O14939 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36

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 SCHEMBL6415597 0.99 HCRTR2 (0.40) HCRTR2HCRTR1MAPTCCR5SIGMAR1
SCHEMBL6409327 0.92 HCRTR2 (0.43) HCRTR2CCR5SIGMAR1HTR1ADRD2
SCHEMBL6415267 0.92 HTT (0.43) HCRTR2CCR5SIGMAR1
Hydrochloric Acid SCHEMBL6409905 0.91 HCRTR2 (0.43) HCRTR2CCR5SIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL6408556 0.91 HTT (0.42) HCRTR2CCR5SIGMAR1
SCHEMBL6416494 0.90 MAPT (0.46) HCRTR2MAPTCCR5SIGMAR1ROCK2
Hydrochloric Acid SCHEMBL6408952 0.90 MAPT (0.46) HCRTR2MAPTCCR5SIGMAR1ROCK2
SCHEMBL6415644 0.89 UTS2R (0.46) HCRTR2MAPTROCK2ROCK1ALDH1A1
SCHEMBL6410451 0.89 POLB (0.46) HCRTR2CCR5SIGMAR1EPHX2ROCK2
Hydrochloric Acid SCHEMBL6408982 0.89 UTS2R (0.45) HCRTR2MAPTROCK2ROCK1ALDH1A1

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 HCRTR2 247/4885HCRTR1 121/4885MAPT 4525/4885

“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.