SCHEMBL1762996

SCHEMBL1762996

CCCC(CCC)n1cc(-c2ccc(C(=O)O)cc2)c2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.36
SRD5A2 P31213 2/20 0.36
PDE4A P27815 1/20 0.35
BRD4 O60885 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
BCL2 P10415 1/20 0.34
CHUK O15111 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
BRD2 P25440 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALOX5 P09917 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1762870 0.92 FABP3 (0.38) NPC1RAB9ASMN1; SMN2PTPN11CAMKK2
SCHEMBL1762703 0.84 GABRP (0.32) ALDH1A1LMNAHPGD
SCHEMBL1762776 0.80 C5AR1 (0.31)
SCHEMBL1762598 0.79
SCHEMBL1762871 0.78 NR4A2 (0.37) SMN1; SMN2BRD4LMNA
SCHEMBL1762660 0.75 PDE4A (0.36) NPC1RAB9ASMN1; SMN2TP53PDE4A
SCHEMBL1762565 0.74 P2RY12 (0.33) ALDH1A1
SCHEMBL1762669 0.73 SLC2A1 (0.35) BRD4
SCHEMBL1762730 0.73 IDO1 (0.36) BRD4ALDH1A1
SCHEMBL1763188 0.72 TYRO3 (0.37)

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-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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 (2 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 NPC1 4509/4885RAB9A 2323/4885SMN1; SMN2 4820/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 NPC1 4509/4885RAB9A 2323/4885SMN1; SMN2 4820/4885

“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.