SCHEMBL426196

SCHEMBL426196

O=C(c1cc[c]c(F)c1)N1CCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 11/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MLYCD O95822 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 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
SCHEMBL424048 0.97 HPGD (0.52) SMN1; SMN2HPGDALDH1A1POLBLMNA
SCHEMBL3713636 0.95 HPGD (0.55) SMN1; SMN2HPGDALDH1A1POLBLMNA
SCHEMBL425630 0.86 PKM (0.54) HPGDKMT2AKDM4EL3MBTL1TSHR
SCHEMBL1661992 0.81 GRM3 (0.48) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1661991 0.81 GRM3 (0.48) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL421715 0.80 HPGD (0.51) SMN1; SMN2HPGDALDH1A1HSD17B10POLB
SCHEMBL426145 0.80 HPGD (0.51) SMN1; SMN2HPGDALDH1A1HSD17B10POLB
SCHEMBL28897079 0.80 PLA2G7 (0.39) SMN1; SMN2HPGDALDH1A1HSD17B10POLB
SCHEMBL1661137 0.78 PDK2 (0.46) HSD17B10
SCHEMBL1662640 0.77 PDK2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP claimed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US claimed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US claimed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
CN-102015637-A Novel phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2011-04-13 CN claimed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 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 (3 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 SMN1; SMN2 3765/4885HPGD 1804/4885ALDH1A1 1098/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 SMN1; SMN2 3765/4885HPGD 1804/4885ALDH1A1 1098/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 SMN1; SMN2 2922/4885HPGD 2237/4885ALDH1A1 1637/4885

“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.