SCHEMBL3392307

SCHEMBL3392307

COc1ccc(CN2C(=O)NC3(CCN(C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.52
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.41
OPRL1 P41146 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
ADAM17 P78536 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
SCHEMBL3392304 1.00 CCR5 (0.52) CCR5LMNAALDH1A1OPRL1KMT2A
Hydrochloric Acid SCHEMBL3388624 0.99 CCR5 (0.51) CCR5LMNAALDH1A1OPRL1KMT2A
Hydrochloric Acid SCHEMBL3388619 0.99 CCR5 (0.51) CCR5LMNAALDH1A1OPRL1KMT2A
SCHEMBL3391719 0.90 CCR5 (0.53) CCR5LMNAALDH1A1KMT2AMEN1
SCHEMBL3391721 0.90 CCR5 (0.53) CCR5LMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3389663 0.89 CCR5 (0.52) CCR5LMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3389664 0.89 CCR5 (0.52) CCR5LMNAALDH1A1KMT2AMEN1
SCHEMBL3391678 0.83 CCR5 (0.47) CCR5LMNAALDH1A1OPRL1KMT2A
SCHEMBL3391680 0.83 CCR5 (0.47) CCR5LMNAALDH1A1OPRL1KMT2A
SCHEMBL3387190 0.82 OPRL1 (0.56) CCR5OPRL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US claimed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 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-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 CCR5 4/4885LMNA 4238/4885ALDH1A1 846/4885

“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.