SCHEMBL4831033

SCHEMBL4831033

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.46
CCR5 P51681 2/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
AKT1 P31749 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
ROCK2 O75116 1/20 0.37
AKT2 P31751 1/20 0.37
KCNH2 Q12809 1/20 0.37
AKT3 Q9Y243 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 SCHEMBL4827907 0.99 UTS2R (0.45) UTS2RCCR5KMT2ANPC1LMNA
SCHEMBL4833330 0.92 CCR5 (0.43) UTS2RCCR5KMT2ANPC1LMNA
SCHEMBL4833322 0.92 CCR5 (0.43) UTS2RCCR5KMT2ANPC1LMNA
SCHEMBL4831014 0.92 ALDH1A1 (0.47) CCR5KMT2ANPC1LMNAHTT
Hydrochloric Acid SCHEMBL4830983 0.91 CCR5 (0.42) UTS2RCCR5KMT2ANPC1LMNA
Hydrochloric Acid SCHEMBL4830989 0.91 CCR5 (0.42) UTS2RCCR5KMT2ANPC1LMNA
Hydrochloric Acid SCHEMBL4830914 0.91 ALDH1A1 (0.46) CCR5KMT2ANPC1LMNAHTT
SCHEMBL4836539 0.91 CCR5 (0.46) CCR5KMT2ANPC1LMNAHTT
SCHEMBL4831064 0.90 CCR5 (0.46) CCR5KMT2ANPC1LMNAHTT
Hydrochloric Acid SCHEMBL4830922 0.90 CCR5 (0.46) CCR5KMT2ANPC1LMNAHTT

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 UTS2R 118/4885CCR5 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.