SCHEMBL6380940

SCHEMBL6380940

O=C1NC2(CCN(CCCc3ccccc3)CC2)C(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
CNR1 P21554 2/20 0.52
SIGMAR1 Q99720 3/20 0.46
HRH1 P35367 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
CCR3 P51677 1/20 0.44

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 SCHEMBL4827895 0.99 KMT2A (0.54) KMT2ACNR1SIGMAR1HRH1HRH4
SCHEMBL6378898 0.83 KMT2A (0.51) KMT2ACNR1ALDH1A1
Hydrochloric Acid SCHEMBL4830942 0.83 KMT2A (0.50) KMT2ACNR1ALDH1A1
SCHEMBL4836256 0.81 KMT2A (0.48) KMT2ACNR1HRH1HRH4HRH3
SCHEMBL6379108 0.81 KMT2A (0.48) KMT2ACNR1ALDH1A1
SCHEMBL4831071 0.81 KMT2A (0.48) KMT2ACNR1HRH1HRH4HRH3
Hydrochloric Acid SCHEMBL4836804 0.80 KMT2A (0.47) KMT2ACNR1ALDH1A1
Hydrochloric Acid SCHEMBL4827786 0.80 KMT2A (0.47) KMT2ACNR1HRH1HRH4HRH3
SCHEMBL6409073 0.80 CCR3 (0.50) KMT2ASIGMAR1MEN1CCR3
Hydrochloric Acid SCHEMBL6410465 0.79 CCR3 (0.49) KMT2ASIGMAR1MEN1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 4243/4885CNR1 60/4885SIGMAR1 431/4885

“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.