SCHEMBL4277124

SCHEMBL4277124

NCCc1c2c(n3ccccc13)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HTR2A P28223 3/20 0.33
IL1R1 P14778 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 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
Hydrochloric Acid SCHEMBL9689543 0.98 HTR6 (0.39) HTR6CA1CA2KDM4EMEN1
SCHEMBL10379108 0.81 HTR6 (0.41) HTR6CA1CA2HRH3
Hydrochloric Acid SCHEMBL10570274 0.80 HTR6 (0.40) HTR6CA1CA2L3MBTL1HRH3
SCHEMBL10378092 0.78 HTR6 (0.33) HTR6CA1CA2
SCHEMBL9688270 0.77 TP53 (0.39) KDM4EMEN1KMT2AHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL10379118 0.77 HTR6 (0.33) HTR6CA1CA2
SCHEMBL253563 0.77 PTGDR2 (0.49) CA1CA2KDM4EMEN1KMT2A
SCHEMBL9689143 0.76 ESRRG (0.42) HTR6KDM4EMEN1KMT2AALDH1A1
SCHEMBL5441635 0.75 SIGMAR1 (0.43) HTR6CA1CA2KDM4EMEN1
SCHEMBL9688384 0.74 CA1 (0.33) HTR6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608626-B2 Substituted indolizines and derivatives as CNS agents WYETH (US) 2009-10-27 US claimed
US-20060094752-A1 Substituted indolizines and derivatives as CNS agents WYETH (US) 2006-05-04 US claimed
EP-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 EP claimed
US-7608626-B2 Substituted indolizines and derivatives as CNS agents WYETH (US) 2009-10-27 US disclosed
EP-1807427-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS Wyeth (US) 2007-07-18 EP disclosed
WO-2006050007-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS WYETH (US) 2006-05-11 WO disclosed
US-20060094752-A1 Substituted indolizines and derivatives as CNS agents WYETH (US) 2006-05-04 US disclosed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 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-20060094752-A1 Substituted indolizines and derivatives as CNS agents HTR2C, HTR3A, HTR1A HTR6 21/4885CA1 3419/4885CA2 3441/4885

“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.