SCHEMBL4866877

SCHEMBL4866877

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
PTPN6 P29350 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
F10 P00742 4/20 0.56
MGLL Q99685 3/20 0.55
S1PR2 O95136 1/20 0.54
UBE2M P61081 3/20 0.53
DCUN1D1 Q96GG9 3/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
HSD17B10 Q99714 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL18464304 0.87 PTPN2 (0.67) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL28455754 0.85 PTPN1 (0.81) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL27142167 0.83 PTPN2 (0.61) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL4290419 0.82 S1PR2 (0.52) S1PR2ALDH1A1
Hydrochloric Acid SCHEMBL30019386 0.82 PTPN2 (0.59) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL13676224 0.82 PTPN2 (0.68) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL18658290 0.81 UBE2M (0.67) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29491079 0.81 UBE2M (0.67) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL23086091 0.81 STS (0.67) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL24147974 0.81 PTPN2 (0.67) PTPN2PTPN1PTPN6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
WO-2006091450-A1 4-PIPERIDIN-1-YL-7H-PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS LEXICON GENETICS INCORPORATED (US) 2006-08-31 WO disclosed
US-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis OXFORD FINANCE LLC, AS COLLATERAL AGENT 2006-08-24 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-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis CDK4, CDK2, MKI67 PTPN2 879/4885PTPN1 792/4885PTPN6 931/4885

“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.