SCHEMBL3395072

SCHEMBL3395072

O=C1NC2(CCN(CC3CNCC3c3ccccc3)CC2)C(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.49
KMT2A Q03164 1/20 0.46
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.37
CHRM1 P11229 1/20 0.37
CXCR3 P49682 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL3395074 1.00 CCR5 (0.49) CCR5KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL3391678 0.88 CCR5 (0.47) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3391680 0.88 CCR5 (0.47) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3391406 0.87 CCR5 (0.46) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3391408 0.87 CCR5 (0.46) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2337060 0.84 CCR5 (0.49) CCR5KMT2ACNR1CHRM1CXCR3
SCHEMBL2342440 0.84 CCR5 (0.49) CCR5KMT2ACNR1CHRM1CXCR3
SCHEMBL2341425 0.84 CCR5 (0.49) CCR5KMT2ACNR1CHRM1CXCR3
SCHEMBL3391791 0.79 RORC (0.42) CCR5KMT2ACNR1LMNARORC
SCHEMBL6380940 0.75 KMT2A (0.55) KMT2ACNR1ALDH1A1

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 6 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-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-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
WO-2006000096-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2006-01-05 WO 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 CCR5 4/4885KMT2A 4181/4885CNR1 51/4885
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 CCR5 4/4885KMT2A 4181/4885CNR1 51/4885

“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.