SCHEMBL5572497

SCHEMBL5572497

Cc1nc(Sc2ccc(C(=O)NC3CC3)cc2)ccc1CN1CCC(N2C(=O)NCC2c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.59
CCR4 P51679 2/20 0.45
KCNH2 Q12809 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SLC6A12 P48065 2/20 0.40
MCHR1 Q99705 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5572494 1.00 CCR5 (0.59) CCR5CCR4KCNH2LMNASMN1; SMN2
SCHEMBL5575922 0.91 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL4598202 0.91 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL4610910 0.88 CCR5 (0.59) CCR5CCR4KCNH2
SCHEMBL4610920 0.88 CCR5 (0.59) CCR5CCR4KCNH2
SCHEMBL5573802 0.87 CCR5 (0.61) CCR5CCR4KCNH2LMNASMN1; SMN2
SCHEMBL5573794 0.87 CCR5 (0.61) CCR5CCR4KCNH2LMNASMN1; SMN2
SCHEMBL5575362 0.85 CCR5 (0.62) CCR5CCR4KCNH2DRD4
SCHEMBL5575367 0.85 CCR5 (0.62) CCR5CCR4KCNH2DRD4
SCHEMBL4611400 0.84 CCR5 (0.56) CCR5CCR4KCNH2LMNADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.