SCHEMBL6409642

SCHEMBL6409642

COc1ccccc1C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HDAC11 Q96DB2 2/20 0.40
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
UTS2R Q9UKP6 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR5 P51681 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.37

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 SCHEMBL6408862 0.99 POLB (0.40) POLBNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6409318 0.93 CCR5 (0.45) POLBNPSR1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5252718 0.92 CCR5 (0.45) POLBNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6409264 0.90 CCR2 (0.43) POLBNPSR1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6415190 0.89 CCR2 (0.42) POLBNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6410293 0.89 UTS2R (0.42) POLBNPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6410472 0.88 MAPT (0.43) NPSR1SMN1; SMN2ALDH1A1HPGDUTS2R
SCHEMBL6410251 0.88 SIGMAR1 (0.43) MEN1KMT2AALDH1A1TACR1TSHR
Hydrochloric Acid SCHEMBL6409764 0.88 UTS2R (0.42) POLBNPSR1SMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6415308 0.88 MAPT (0.43) NPSR1SMN1; SMN2ALDH1A1HPGDUTS2R

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 POLB 3564/4885NPSR1 48/4885SMN1; SMN2 4429/4885

“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.