SCHEMBL4828017

SCHEMBL4828017

N#Cc1ccc(CN2C(=O)NC3(CCN(CC[C@H](N)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.52
TACR1 P25103 1/20 0.49
KMT2A Q03164 2/20 0.46
USP2 O75604 4/20 0.42
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.40
CCR5 P51681 2/20 0.40
MCHR1 Q99705 1/20 0.40
GNRHR P30968 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39

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 SCHEMBL4834066 0.99 CCR2 (0.51) CCR2TACR1KMT2AUSP2CYP3A4
SCHEMBL4838738 0.88 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1MAPK1OPRM1
SCHEMBL4831071 0.87 KMT2A (0.48) TACR1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4831009 0.87 KMT2A (0.48) TACR1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4830947 0.87 ALDH1A1 (0.55) TACR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4836256 0.87 KMT2A (0.48) TACR1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4836884 0.86 ALDH1A1 (0.54) TACR1KMT2ASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL4827786 0.86 KMT2A (0.47) TACR1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4836644 0.85 TACR1 (0.49) TACR1KMT2ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL4833925 0.85 KMT2A (0.46) KMT2AMEN1RAB9ANPC1HRH1

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 2 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

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 CCR2 6/4885TACR1 39/4885KMT2A 4243/4885

“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.