SCHEMBL4830969

SCHEMBL4830969

CCC(=O)N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CCR5 P51681 4/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39
FPR2 P25090 4/20 0.39
AKR1B1 P15121 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
KCNA3 P22001 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL4835803 0.99 KMT2A (0.41) KMT2ACCR5LMNANPC1HTT
SCHEMBL4836424 0.91 KMT2A (0.43) KMT2ACCR5LMNAHTTCNR1
SCHEMBL4836932 0.91 KMT2A (0.43) KMT2ACCR5LMNANPC1HTT
Hydrochloric Acid SCHEMBL4831058 0.91 KMT2A (0.43) KMT2ACCR5LMNANPC1HTT
Hydrochloric Acid SCHEMBL4836642 0.90 KMT2A (0.42) KMT2ACCR5LMNANPC1HTT
SCHEMBL4836693 0.90 CCR5 (0.48) KMT2ACCR5LMNANPC1HTT
SCHEMBL4833322 0.90 CCR5 (0.43) KMT2ACCR5LMNANPC1HTT
SCHEMBL4830960 0.90 LMNA (0.44) KMT2ACCR5LMNANPC1HTT
SCHEMBL4833330 0.90 CCR5 (0.43) KMT2ACCR5LMNANPC1HTT
SCHEMBL14197248 0.90 KMT2A (0.41) KMT2ACCR5LMNANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
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 4243/4885CCR5 5/4885LMNA 4228/4885

“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.