SCHEMBL3169124

SCHEMBL3169124

CC[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
CXCR3 P49682 3/20 0.39
KCNH2 Q12809 1/20 0.39
JAK3 P52333 2/20 0.36
FLT3 P36888 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KCNMA1 Q12791 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RPS6KB1 P23443 1/20 0.33
LIMK2 P53671 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCR2 P41597 1/20 0.33
PARP1 P09874 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL3178719 1.00 CYP2C19 (0.43) CYP2C19CXCR3KCNH2JAK3FLT3
SCHEMBL3184309 0.86 CYP2C19 (0.52) CYP2C19CXCR3LIMK2CYP3A4CYP2D6
SCHEMBL3176149 0.86 CYP2C19 (0.52) CYP2C19CXCR3LIMK2CYP3A4CYP2D6
SCHEMBL10849119 0.76 GRM1 (0.47) CYP2C19ALDH1A1KDM4EHSD17B10GRM1
SCHEMBL7980393 0.74 MAP4K4 (0.48) CYP2C19CXCR3KDM4ECYP3A4CYP2D6
SCHEMBL3227404 0.73 ROCK1 (0.43) CYP2C19KCNMA1MEN1KMT2ACYP3A4
SCHEMBL10371961 0.73 MAPT (0.41) ALDH1A1KDM4ELMNAMAPT
SCHEMBL3222860 0.72 KCNMA1 (0.41) CYP2C19KCNMA1MEN1KMT2AIRAK4
SCHEMBL3628431 0.71 FLT3 (0.47) FLT3KDM4EMEN1LMNAKMT2A
SCHEMBL3185289 0.71 PRKCQ (0.42) CYP2C19ALDH1A1KCNMA1LMNARPS6KB1

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-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 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-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR3A CYP2C19 319/4885CXCR3 907/4885KCNH2 1058/4885

“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.