SCHEMBL3145758

SCHEMBL3145758

CCCN1CCC[C@@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KCNK3 O14649 1/20 0.48
NR1I2 O75469 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACE P12821 6/20 0.42
REN P00797 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL1887364 1.00 LMNA (0.48) LMNAKCNK3NR1I2SMN1; SMN2ACE
SCHEMBL1887361 1.00 LMNA (0.48) LMNAKCNK3NR1I2SMN1; SMN2ACE
Hydrochloric Acid SCHEMBL9155025 0.98 LMNA (0.47) LMNAKCNK3NR1I2SMN1; SMN2ACE
Hydrochloric Acid SCHEMBL9155039 0.98 LMNA (0.47) LMNAKCNK3NR1I2SMN1; SMN2ACE
SCHEMBL23551811 0.94 KCNK3 (0.54) LMNAKCNK3NR1I2SMN1; SMN2ACE
SCHEMBL28148146 0.94 KCNK3 (0.54) LMNAKCNK3NR1I2SMN1; SMN2ACE
SCHEMBL669604 0.94 KCNK3 (0.54) LMNAKCNK3NR1I2SMN1; SMN2ACE
SCHEMBL28152186 0.93 KCNK3 (0.52) LMNAKCNK3NR1I2SMN1; SMN2SLC6A1
SCHEMBL5226944 0.93 KCNK3 (0.52) LMNAKCNK3NR1I2SMN1; SMN2SLC6A1
Hydrochloric Acid SCHEMBL28151982 0.93 KCNK3 (0.52) LMNAKCNK3NR1I2SMN1; SMN2SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO claimed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20150211006-A1 CHIRAL CONTROL WAVE LIFE SCIENCES USA, INC. 2015-07-30 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 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 (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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 LMNA 3185/4885KCNK3 814/4885NR1I2 641/4885
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 LMNA 2122/4885KCNK3 482/4885NR1I2 953/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 LMNA 2122/4885KCNK3 482/4885NR1I2 953/4885
US-20150211006-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 LMNA 1868/4885KCNK3 4182/4885NR1I2 3718/4885

“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.