SCHEMBL4582148

SCHEMBL4582148

CCc1cccc(CC)c1-c1cc2c(C3CCC(C(=O)OC)CC3)c[nH]c2cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.41
HTR1A P08908 3/20 0.41
HTR1F P30939 3/20 0.41
HTR1B P28222 10/20 0.39
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
C5AR1 P21730 3/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL1762630 0.89 HTR1D (0.41) HTR1DHTR1AHTR1FHTR1BJAK1
SCHEMBL1762854 0.73 C5AR1 (0.38) PDCD1CD274C5AR1
SCHEMBL10174499 0.70 ALDH1A1 (0.43)
SCHEMBL1762824 0.70 CDK9 (0.39) HTR1DHTR1A
SCHEMBL1762668 0.67 CSNK2A1 (0.45) HTR1DHTR1AHTR1B
SCHEMBL7048594 0.63 SLC6A4 (0.64) HTR1AHTR1B
SCHEMBL1328317 0.63 ALDH1A1 (0.42) C5AR1
SCHEMBL10175546 0.63 ALDH1A1 (0.43)
SCHEMBL1762541 0.62 GRM4 (0.40) HTR1A
SCHEMBL21255991 0.61 MTNR1A (0.60) HTR1A

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-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
WO-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 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-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 HTR1D 324/4885HTR1A 233/4885HTR1F 400/4885

“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.