SCHEMBL17797702

SCHEMBL17797702

CN1CCCc2ccc(NC(=O)O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.51
NPC1 O15118 13/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 4/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 4/20 0.48
HTT P42858 3/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.46
PKM P14618 2/20 0.46
ALOX15 P16050 1/20 0.45
STAT1 P42224 1/20 0.45

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
SCHEMBL3652815 0.87 NPC1 (0.49) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL11896022 0.81 NPC1 (0.70) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL30494024 0.81 NPC1 (0.65) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL29119510 0.79 BAZ2B (0.54) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL17797663 0.79 TMEM97 (0.55) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL2248318 0.79 ACLY (0.53) RAB9ANPC1ALDH1A1KDM4E
SCHEMBL17797675 0.78 NOTUM (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL17797709 0.78 KMT2A (0.46) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL8130701 0.77 NPC1 (0.65) RAB9ANPC1POLBSMN1; SMN2NFKB1
SCHEMBL17797681 0.77 KDM4E (0.44) RAB9ANPC1POLBSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO 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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 RAB9A 580/4885NPC1 48/4885POLB 3726/4885

“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.