SCHEMBL5097410

SCHEMBL5097410

O=C(NC[C@@H]1CCCN1C1CCC1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.57
SIGMAR1 Q99720 8/20 0.46
ACKR3 P25106 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
UCHL1 P09936 1/20 0.40
ENPP2 Q13822 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
SCHEMBL5100963 0.81 USP30 (0.56) USP30ACKR3NR1H4NPC1RAB9A
SCHEMBL5097412 0.78 LOXL2 (0.40) NPC1RAB9AKMT2AUCHL1
SCHEMBL23507512 0.74 CTSL (0.64) SIGMAR1CTSLCTSBCTSKHCRTR1
SCHEMBL18986978 0.73 USP30 (1.00) USP30
SCHEMBL18986981 0.73 USP30 (1.00) USP30
SCHEMBL5093675 0.72 HTT (0.56) SIGMAR1
SCHEMBL5094075 0.72 BCHE (0.55) SIGMAR1CTSLCTSBCTSK
SCHEMBL5106441 0.72 USP30 (0.55) USP30SIGMAR1
SCHEMBL5106500 0.71 USP30 (0.52) USP30NR1H4NPC1RAB9AKMT2A
SCHEMBL5107052 0.71 USP30 (0.52) USP30NR1H4NPC1RAB9AKMT2A

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 1703/4885SIGMAR1 2807/4885ACKR3 4347/4885

“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.