SCHEMBL4831032

SCHEMBL4831032

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.50
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CCR5 P51681 4/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 4/20 0.41
ACE2 Q9BYF1 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 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 SCHEMBL4827945 0.99 UTS2R (0.49) UTS2RROCK2ROCK1CCR5KMT2A
SCHEMBL4828145 0.92 GAA (0.46) UTS2RROCK2ROCK1CCR5KMT2A
Hydrochloric Acid SCHEMBL4830837 0.91 GAA (0.46) UTS2RROCK2ROCK1CCR5KMT2A
SCHEMBL4836932 0.90 KMT2A (0.43) UTS2RCCR5KMT2AHDAC6LMNA
Hydrochloric Acid SCHEMBL4836642 0.90 KMT2A (0.42) UTS2RCCR5KMT2AHDAC6LMNA
SCHEMBL4828107 0.89 HDAC6 (0.48) UTS2RROCK2ROCK1CCR5KMT2A
SCHEMBL4833330 0.89 CCR5 (0.43) UTS2RCCR5KMT2AHDAC6LMNA
SCHEMBL4833322 0.89 CCR5 (0.43) UTS2RCCR5KMT2AHDAC6LMNA
SCHEMBL4830969 0.89 KMT2A (0.41) UTS2RCCR5KMT2AHDAC6LMNA
SCHEMBL4830960 0.89 LMNA (0.44) UTS2RCCR5KMT2AHDAC6LMNA

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 118/4885ROCK2 3321/4885ROCK1 2323/4885

“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.