SCHEMBL4834006

SCHEMBL4834006

CCOC(=O)N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
CXCR3 P49682 1/20 0.39
CCR5 P51681 3/20 0.39
CNR1 P21554 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
EGLN1 Q9GZT9 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 SCHEMBL4827872 0.99 KCNA3 (0.41) KCNA3LMNANPC1HTTRAB9A
SCHEMBL4830960 0.93 LMNA (0.44) LMNANPC1HTTRAB9AKMT2A
Hydrochloric Acid SCHEMBL4830949 0.92 LMNA (0.43) LMNANPC1HTTRAB9AKMT2A
SCHEMBL4837925 0.91 CCR5 (0.45) KCNA3LMNANPC1HTTRAB9A
Hydrochloric Acid SCHEMBL4834247 0.90 CCR5 (0.45) KCNA3LMNANPC1HTTRAB9A
SCHEMBL4828138 0.90 LMNA (0.40) LMNANPC1HTTRAB9AKMT2A
SCHEMBL4836839 0.90 CCR2 (0.44) KCNA3LMNANPC1HTTRAB9A
Hydrochloric Acid SCHEMBL4830999 0.89 LMNA (0.40) LMNANPC1HTTRAB9AKMT2A
SCHEMBL4836435 0.89 LMNA (0.40) LMNANPC1HTTRAB9AKMT2A
SCHEMBL4827825 0.89 LMNA (0.40) LMNANPC1HTTRAB9AKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US disclosed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US disclosed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US disclosed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM 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-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 KCNA3 1407/4885LMNA 4228/4885NPC1 788/4885

“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.