SCHEMBL458560

SCHEMBL458560

CCCN1CCC(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KCNH2 Q12809 1/20 0.46
DRD2 P14416 2/20 0.46
S1PR5 Q9H228 2/20 0.44
LTA4H P09960 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
LMNA P02545 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
Hydrochloric Acid SCHEMBL5065549 0.98 SMN1; SMN2 (0.64) SMN1; SMN2KCNH2DRD2S1PR5LTA4H
Tert-Butylamine SCHEMBL28089928 0.91 SMN1; SMN2 (0.54) SMN1; SMN2KCNH2DRD2S1PR5LTA4H
SCHEMBL22675343 0.88 SMN1; SMN2 (0.62) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL13102175 0.88 SMN1; SMN2 (0.62) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL22677330 0.88 SMN1; SMN2 (0.62) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL6944812 0.88 KCNH2 (0.55) SMN1; SMN2KCNH2S1PR5S1PR4S1PR1
SCHEMBL19514340 0.87 LTA4H (0.47) SMN1; SMN2LTA4HL3MBTL1LMNA
SCHEMBL396677 0.86 KCNH2 (0.61) SMN1; SMN2KCNH2S1PR5S1PR4S1PR1
SCHEMBL28272527 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KCNH2DRD2EPHX1EPHX2
SCHEMBL9494162 0.85 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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978765-A1 METHODS FOR THE PREPARATION OF ALCAFTADINE Crystal Pharma S.A.U (ES) 2016-02-03 EP claimed
WO-2014154620-A1 METHODS FOR THE PREPARATION OF ALCAFTADINE CRYSTAL PHARMA S.A.U. (ES) 2014-10-02 WO claimed
CN-115189882-A Distributed identity authentication method based on block chain in group knowledge perception 安徽师范大学 2022-10-14 CN disclosed
WO-2022212769-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND PROCESSES FOR PREPARATION THEREOF WASHINGTON UNIVERSITY (US) 2022-10-06 WO disclosed
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed
US-9763955-B2 Methods and compositions for decreasing gastric emptying PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
CN-104854105-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2017-05-17 CN disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 EP disclosed
EP-2978765-A1 METHODS FOR THE PREPARATION OF ALCAFTADINE Crystal Pharma S.A.U (ES) 2016-02-03 EP disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 WO disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
CN-1889951-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-01-03 CN disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO disclosed
EP-0675889-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013681-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 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 (2 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 SMN1; SMN2 4108/4885KCNH2 2131/4885DRD2 2919/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 3544/4885KCNH2 3668/4885DRD2 4300/4885

“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.