SCHEMBL4831014

SCHEMBL4831014

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CCR5 P51681 4/20 0.44
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PLD1 Q13393 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 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 SCHEMBL4830914 0.99 ALDH1A1 (0.46) ALDH1A1CCR5KMT2ARAB9APOLB
SCHEMBL4831033 0.92 UTS2R (0.46) CCR5KMT2ARAB9ANPC1LMNA
SCHEMBL4833330 0.91 CCR5 (0.43) ALDH1A1CCR5KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL4827907 0.91 UTS2R (0.45) CCR5KMT2ARAB9ANPC1LMNA
SCHEMBL4833322 0.91 CCR5 (0.43) ALDH1A1CCR5KMT2ARAB9ANPC1
SCHEMBL4831064 0.91 CCR5 (0.46) CCR5KMT2ARAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL4830983 0.91 CCR5 (0.42) ALDH1A1CCR5KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL4830989 0.91 CCR5 (0.42) ALDH1A1CCR5KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL4830888 0.90 CCR5 (0.46) CCR5KMT2ARAB9ANPC1LMNA
SCHEMBL4836539 0.90 CCR5 (0.46) CCR5KMT2ARAB9ANPC1LMNA

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 4 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

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 ALDH1A1 1168/4885CCR5 5/4885KMT2A 4243/4885

“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.