SCHEMBL4831064

SCHEMBL4831064

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.46
TACR1 P25103 5/20 0.44
OPRL1 P41146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.39
CCR2 P41597 3/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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 SCHEMBL4830888 0.99 CCR5 (0.46) CCR5TACR1OPRL1SMN1; SMN2HTT
SCHEMBL4831014 0.91 ALDH1A1 (0.47) CCR5HTTKMT2ANPC1LMNA
Hydrochloric Acid SCHEMBL4830914 0.90 ALDH1A1 (0.46) CCR5HTTKMT2ANPC1LMNA
SCHEMBL4831033 0.90 UTS2R (0.46) CCR5OPRL1HTTKMT2ANPC1
SCHEMBL4834071 0.90 CCR5 (0.43) CCR5TACR1HTTKMT2ANPC1
SCHEMBL4833330 0.89 CCR5 (0.43) CCR5SMN1; SMN2HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL4827907 0.89 UTS2R (0.45) CCR5OPRL1HTTKMT2ANPC1
SCHEMBL4833322 0.89 CCR5 (0.43) CCR5SMN1; SMN2HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL4834352 0.89 CCR5 (0.42) CCR5TACR1HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL4830983 0.88 CCR5 (0.42) CCR5SMN1; SMN2HTTKMT2ANPC1

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 CCR5 5/4885TACR1 39/4885OPRL1 107/4885

“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.