SCHEMBL5107052

SCHEMBL5107052

O=C(NCC1CC2CCCCC2N1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.52
CNR1 P21554 1/20 0.41
LMNA P02545 4/20 0.41
NR1H4 Q96RI1 1/20 0.41
CTSK P43235 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.38
ELOVL1 Q9BW60 1/20 0.38
MASP2 O00187 1/20 0.37
F2 P00734 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5106500 1.00 USP30 (0.52) USP30CNR1LMNANR1H4CTSK
SCHEMBL5100401 0.80 CNR1 (0.39) USP30CNR1LMNARAB9ANPC1
SCHEMBL5107055 0.78 RAB9A (0.40) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL5106503 0.78 RAB9A (0.40) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL5100632 0.73 HTT (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12912620 0.73 USP30 (0.52) USP30CNR1LMNANR1H4RAB9A
SCHEMBL5097410 0.71 USP30 (0.57) USP30NR1H4CTSKRAB9ANPC1
SCHEMBL5100963 0.70 USP30 (0.56) USP30CNR1LMNANR1H4CTSK
SCHEMBL31232056 0.69 USP30 (0.47) USP30LMNANR1H4RAB9ANPC1
SCHEMBL5100215 0.69 NPC1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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 USP30 1703/4885CNR1 2777/4885LMNA 1960/4885

“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.