SCHEMBL416372

SCHEMBL416372

NCC1CCN(CC2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
GBA1 P04062 2/20 0.40
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.38
CXCR4 P61073 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TACR2 P21452 1/20 0.35
THRB P10828 1/20 0.35
EBP Q15125 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR4 Q13639 2/20 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
Hydrochloric Acid SCHEMBL5314906 0.98 NCF1 (0.42) NCF1GBA1CHRM5ADRA2CACHE
SCHEMBL5316533 0.89 NCF1 (0.41) NCF1GBA1CHRM5ADRA2CACHE
SCHEMBL5315253 0.89 NCF1 (0.41) NCF1GBA1CHRM5ADRA2CACHE
SCHEMBL23015324 0.85 NCF1 (0.52) NCF1CHRM5ADRA2CACHECXCR4
Hydrochloric Acid SCHEMBL29653378 0.83 NCF1 (0.50) NCF1CHRM5ADRA2CACHECXCR4
SCHEMBL8235039 0.82 GBA1 (0.41) GBA1CHRM5ADRA2CACHEALDH1A1
SCHEMBL12188158 0.80 ACHE (0.42) GBA1CHRM5ADRA2CACHEALDH1A1
Hydrochloric Acid SCHEMBL28386967 0.80 GBA1 (0.40) GBA1CHRM5ADRA2CACHEALDH1A1
SCHEMBL20567 0.80
SCHEMBL7402141 0.79 CHRM5 (0.64) NCF1CHRM5ADRA2CACHECXCR4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US disclosed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US disclosed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US disclosed
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 EP disclosed
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 EP disclosed
EP-3099675-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Suven Life Sciences Limited (IN) 2016-12-07 EP disclosed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 US disclosed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 US disclosed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 US disclosed
WO-2010133306-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2010-11-25 WO disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO disclosed
WO-2007048643-A1 NOVEL COMPOUND GLAXO GROUP LIMITED (GB) 2007-05-03 WO disclosed
WO-2007048643-A1 NOVEL COMPOUND GLAXO GROUP LIMITED (GB) 2007-05-03 WO disclosed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 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 (4 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-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 NCF1 2405/4885GBA1 3352/4885CHRM5 598/4885
US-20070232657-A1 NOVEL COMPOUNDS HTR4, HTR5A, HTR6 NCF1 3438/4885GBA1 484/4885CHRM5 196/4885
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A NCF1 4170/4885GBA1 2289/4885CHRM5 154/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 NCF1 1324/4885GBA1 777/4885CHRM5 964/4885

“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.