SCHEMBL13060933

SCHEMBL13060933

CC[C@@H](CN(CC)C(=O)CCc1n[nH]c2ccnc(O)c12)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.33
PTPN1 P18031 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
CCR5 P51681 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.30
APP P05067 1/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL2692818 0.57 KMT2A (0.61) MAPK1PTPN1HTTRAB9ALMNA
SCHEMBL3425439 0.56 CCR5 (0.53) CCR5MAPTKDM4ELMNAALDH1A1
SCHEMBL987942 0.56 EPHX1 (0.46) PTPN1GLAHPGDRECQLMAPT
SCHEMBL9292528 0.55 NPC1 (0.53) MAPK1GLAHPGDRECQLKDM4E
SCHEMBL3726123 0.55 SMN1; SMN2 (0.60) MAPK1GLAHPGDRECQLMAPT
SCHEMBL3428926 0.54 HTR2A (0.61) MAPK1CCR5KDM4EHTTLMNA
SCHEMBL21739939 0.54 HTR2A (0.61) MAPK1CCR5KDM4EHTTLMNA
SCHEMBL21739938 0.54 HTR2A (0.61) MAPK1CCR5KDM4EHTTLMNA
Phosphoric Acid SCHEMBL9105394 0.54 LMNA (0.50) CCR5LMNA
SCHEMBL10257963 0.54 LTA4H (0.50) PTPN1CCR5LMNACYP2C19CHRM2

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-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MAPK1 2749/4885PTPN1 2433/4885GLA 3100/4885

“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.