SCHEMBL1762874

SCHEMBL1762874

CCc1cccc(CC)c1-c1cc2ccn(C3CCCCc4ccccc43)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 10/20 0.41
CYP11B2 P19099 1/20 0.40
KCNA3 P22001 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
PFKFB3 Q16875 1/20 0.33
DRD2 P14416 2/20 0.33
HTR1A P08908 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL1762627 0.97 C5AR1 (0.44) C5AR1CYP11B2KCNA3HPGDTSHR
SCHEMBL1762710 0.93 KCNA3 (0.40) C5AR1CYP11B2KCNA3HPGDTSHR
SCHEMBL1762529 0.84 MTNR1B (0.42) C5AR1
SCHEMBL1762922 0.83 C5AR1 (0.40) C5AR1KCNA3
SCHEMBL1762685 0.82 C5AR1 (0.35) C5AR1
SCHEMBL1762578 0.81 AURKA (0.37) C5AR1CYP11B2DRD2
SCHEMBL1762913 0.80 MTNR1B (0.42) C5AR1
SCHEMBL1762892 0.80 AURKA (0.40) C5AR1HPGDDRD2
SCHEMBL1762581 0.72 PDE1C (0.39)
SCHEMBL12593260 0.70 C5AR1 (0.34) C5AR1CYP11B2KCNA3

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 C5AR1 1/4885CYP11B2 1865/4885KCNA3 1531/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885CYP11B2 1865/4885KCNA3 1531/4885

“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.