SCHEMBL5093772

SCHEMBL5093772

O=C(NCc1ccc2cccnc2n1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SUCNR1 Q9BXA5 5/20 0.38
KDM4E B2RXH2 2/20 0.38
CTSC P53634 5/20 0.37
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.35
OXGR1 Q96P68 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5097519 0.80 HTR2C (0.47) SUCNR1KDM4E
SCHEMBL5093778 0.78 PDE10A (0.32) SUCNR1
SCHEMBL5107399 0.77 HDAC1 (0.47) PRMT5WDR77CTSC
SCHEMBL5100380 0.77 HDAC1 (0.47) PRMT5WDR77CTSC
SCHEMBL5106609 0.69 PRMT5 (0.44) PRMT5WDR77CTSCHPGDMEN1
SCHEMBL5809712 0.69 PRMT5 (0.44) PRMT5WDR77CTSCHPGDMEN1
SCHEMBL927570 0.68 TAAR1 (0.55) PRMT5WDR77RECQLTSHRMEN1
Hydrochloric Acid SCHEMBL17025732 0.67 P2RX7 (0.49) PRMT5WDR77
SCHEMBL5093609 0.65 PRMT5 (0.42) PRMT5WDR77CTSCRECQL
SCHEMBL18967816 0.65 P2RX7 (0.50) PRMT5WDR77

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-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US claimed
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
WO-2006038989-A1 SUBSTITUTED ARYLAMIDES CHEMOCENTRYX, INC. (US) 2006-04-13 WO disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 PRMT5 1189/4885WDR77 2395/4885SUCNR1 1768/4885

“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.