SCHEMBL6409636

SCHEMBL6409636

COc1cccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
UTS2R Q9UKP6 2/20 0.43
DRD4 P21917 2/20 0.42
GPR139 Q6DWJ6 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.40
CTSS P25774 1/20 0.40
MCHR1 Q99705 1/20 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 SCHEMBL6412116 0.99 ROCK2 (0.47) ROCK2ROCK1UTS2RDRD4GPR139
SCHEMBL6410591 0.94 ROCK2 (0.49) ROCK2ROCK1UTS2RDRD4GPR139
Hydrochloric Acid SCHEMBL6412334 0.94 ROCK2 (0.49) ROCK2ROCK1UTS2RDRD4GPR139
SCHEMBL6416612 0.92 ROCK2 (0.47) ROCK2ROCK1UTS2RKMT2ACCR5
Hydrochloric Acid SCHEMBL6409814 0.92 ROCK2 (0.46) ROCK2ROCK1UTS2RKMT2ACCR5
SCHEMBL6408477 0.90 UTS2R (0.52) ROCK2ROCK1UTS2RLMNACCR5
SCHEMBL6409427 0.90 ROCK2 (0.46) ROCK2ROCK1UTS2RDRD4GPR139
SCHEMBL6410472 0.90 MAPT (0.43) ROCK2ROCK1UTS2RALDH1A1LMNA
SCHEMBL6416471 0.90 UTS2R (0.49) ROCK2ROCK1UTS2RCCR5
Hydrochloric Acid SCHEMBL6411840 0.90 ROCK2 (0.45) ROCK2ROCK1UTS2RDRD4GPR139

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 ROCK2 1735/4885ROCK1 1002/4885UTS2R 126/4885

“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.