SCHEMBL4277129

SCHEMBL4277129

NCCc1c2n(c3ccccc13)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
IL1R1 P14778 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRNA7 P36544 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37

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 SCHEMBL9689536 0.98 MEN1 (0.43) HTR6HTR2AHTR2CIL1R1MEN1
SCHEMBL5369310 0.95 HTR2C (0.48) HTR6HTR2AHTR2CIL1R1MEN1
SCHEMBL20080068 0.81 HTR6 (0.43) HTR6HTR2AHTR2CALDH1A1MAPT
SCHEMBL6712349 0.81 HTR2A (0.59) HTR6HTR2AHTR2CIL1R1MEN1
SCHEMBL10377819 0.81 HTR6 (0.41) HTR6MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10379102 0.80 HTR6 (0.40) HTR6MTNR1AMTNR1B
SCHEMBL10378091 0.78 MTNR1A (0.40) HTR6MTNR1AMTNR1B
SCHEMBL10377880 0.77 DPP7 (0.49) HTR6MEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL10379117 0.77 MTNR1A (0.40) HTR6MTNR1AMTNR1B
SCHEMBL18456933 0.77 PTGDR2 (0.53) MEN1KMT2A

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 21/4885HTR2A 4/4885HTR2C 1/4885

“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.