SCHEMBL6944812

SCHEMBL6944812

CCCCN1CCC(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
S1PR5 Q9H228 4/20 0.49
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
GNAI3 P08754 4/20 0.47
GNAO1 P09471 4/20 0.47
GNAI1 P63096 4/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL396677 0.94 KCNH2 (0.61) KCNH2SMN1; SMN2S1PR5S1PR4S1PR1
SCHEMBL460720 0.93 SMN1; SMN2 (0.56) KCNH2SMN1; SMN2S1PR5S1PR4S1PR1
SCHEMBL31549854 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
SCHEMBL31549853 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL6206412 0.93 KCNH2 (0.60) KCNH2SMN1; SMN2S1PR5S1PR4S1PR1
SCHEMBL6216002 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
SCHEMBL9492760 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
SCHEMBL9493891 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
SCHEMBL9494162 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3
SCHEMBL31549845 0.93 KCNH2 (0.64) KCNH2S1PR5S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
US-5360805-A Substituted 4-phenyl-4-piperidinecarboxamides with both local anaesthetic and analgesic effect as well as processes for their preparation AKTIEBOLAGET ASTRA (SE) 1994-11-01 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 (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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE KCNH2 837/4885SMN1; SMN2 4559/4885S1PR5 2158/4885

“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.