SCHEMBL3390772

SCHEMBL3390772

CC(C)(C)OC(=O)N1C[C@H](CN2CCC3(CC2)NC(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C3=O)[C@@H](c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CCR5 P51681 3/20 0.38
RORC P51449 1/20 0.38
TACR1 P25103 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
SCHEMBL3391791 0.90 RORC (0.42) CCR5RORCTACR1
SCHEMBL3392650 0.89 CCR5 (0.43) CCR5RORCTACR1
SCHEMBL3393947 0.89 CCR5 (0.42) KDM1AMAOBCCR5TACR1
SCHEMBL3393944 0.89 CCR5 (0.42) KDM1AMAOBCCR5TACR1
Hydrochloric Acid SCHEMBL3391645 0.88 CCR5 (0.41) KDM1AMAOBCCR5TACR1
Hydrochloric Acid SCHEMBL3391641 0.88 CCR5 (0.41) KDM1AMAOBCCR5TACR1
SCHEMBL3394478 0.88 CCR5 (0.43) KDM1AMAOBCCR5
SCHEMBL3394475 0.88 CCR5 (0.43) KDM1AMAOBCCR5
SCHEMBL3393855 0.88 KDM1A (0.41) KDM1AMAOBCCR5
Hydrochloric Acid SCHEMBL3394820 0.87 CCR5 (0.43) KDM1AMAOBCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US claimed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US claimed
US-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2006-01-19 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-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
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2006-01-19 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 (2 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-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR2, CXCR4 GPR119 249/4885KDM1A 4354/4885MAOB 3788/4885
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 GPR119 249/4885KDM1A 4354/4885MAOB 3788/4885

“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.