SCHEMBL6410472

SCHEMBL6410472

COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)c2ccccc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 6/20 0.42
ROCK1 Q13464 6/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
UTS2R Q9UKP6 4/20 0.40
NOX1 Q9Y5S8 1/20 0.39
HPGD P15428 2/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMPD1 P17405 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCHR1 Q99705 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 SCHEMBL6415308 0.99 MAPT (0.43) MAPTLMNANPSR1ROCK2ROCK1
SCHEMBL6415211 0.93 ROCK2 (0.46) MAPTLMNANPSR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL6416127 0.92 ROCK2 (0.45) MAPTLMNANPSR1ROCK2ROCK1
SCHEMBL6409386 0.90 PPARG (0.43) MAPTLMNANPSR1ROCK2ROCK1
SCHEMBL6409636 0.90 ROCK2 (0.47) MAPTLMNAROCK2ROCK1UTS2R
SCHEMBL6416612 0.90 ROCK2 (0.47) ROCK2ROCK1UTS2RCCR5HSD17B10
Hydrochloric Acid SCHEMBL5252193 0.90 PPARG (0.43) MAPTLMNANPSR1ROCK2ROCK1
SCHEMBL6413034 0.89 SIGMAR1 (0.44) CCR5GAA
Hydrochloric Acid SCHEMBL6412116 0.89 ROCK2 (0.47) MAPTLMNAROCK2ROCK1UTS2R
Hydrochloric Acid SCHEMBL6409814 0.89 ROCK2 (0.46) ROCK2ROCK1UTS2RCCR5HSD17B10

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 MAPT 4525/4885LMNA 3107/4885NPSR1 48/4885

“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.