SCHEMBL1762630

SCHEMBL1762630

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.41
HTR1F P30939 5/20 0.41
HTR1A P08908 4/20 0.41
HTR1B P28222 12/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CREBBP Q92793 1/20 0.35
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34

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
SCHEMBL4582148 0.89 HTR1D (0.41) HTR1DHTR1FHTR1AHTR1BJAK1
SCHEMBL1762824 0.78 CDK9 (0.39) HTR1DHTR1ASLC6A4HTR1E
SCHEMBL12593260 0.72 C5AR1 (0.34)
SCHEMBL12648281 0.71 KDM4C (0.35)
SCHEMBL9703341 0.70 HTR2C (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL1762668 0.69 CSNK2A1 (0.45) HTR1DHTR1AHTR1BSLC6A4
SCHEMBL6342293 0.68 HSD11B1 (0.58) HTR1AHTR1BSLC6A4HTR2AHTR2C
SCHEMBL21255991 0.68 MTNR1A (0.60) HTR1AMAPTNPSR1KDM4EALDH1A1
SCHEMBL6344780 0.66 SLC6A4 (0.56) HTR1DHTR1AHTR1BSLC6A4HTR2A
SCHEMBL6342362 0.66 SLC6A4 (0.62) HTR1AHTR1BSLC6A4HTR2AHTR6

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 5 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
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 (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 HTR1D 324/4885HTR1F 400/4885HTR1A 233/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 HTR1D 324/4885HTR1F 400/4885HTR1A 233/4885

“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.