SCHEMBL3393855

SCHEMBL3393855

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CCR5 P51681 17/20 0.40
KMT2A Q03164 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 SCHEMBL3389528 0.99 KDM1A (0.41) KDM1AMAOBCCR5KMT2A
SCHEMBL3394475 0.91 CCR5 (0.43) KDM1AMAOBCCR5KMT2A
SCHEMBL3394478 0.91 CCR5 (0.43) KDM1AMAOBCCR5KMT2A
SCHEMBL3391658 0.90 CCR5 (0.49) KDM1AMAOBCCR5
Hydrochloric Acid SCHEMBL3394816 0.90 CCR5 (0.43) KDM1AMAOBCCR5KMT2A
SCHEMBL13043501 0.90 CCR5 (0.41) KDM1AMAOBCCR5KMT2A
SCHEMBL3391654 0.90 CCR5 (0.49) KDM1AMAOBCCR5
Hydrochloric Acid SCHEMBL3394820 0.90 CCR5 (0.43) KDM1AMAOBCCR5KMT2A
Hydrochloric Acid SCHEMBL3394489 0.89 CCR5 (0.41) KDM1AMAOBCCR5KMT2A
Hydrochloric Acid SCHEMBL3394503 0.89 CCR5 (0.48) 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 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 KDM1A 4354/4885MAOB 3788/4885CCR5 4/4885

“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.