SCHEMBL170262

SCHEMBL170262

Cc1ccccc1C(CCNCCN1CCOCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 2/20 0.45
KDM1A O60341 2/20 0.45
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 3/20 0.43
CHRM1 P11229 2/20 0.43
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CNR1 P21554 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNA7 P36544 1/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 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
SCHEMBL128071 0.87 ACHE (0.57) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL126742 0.86 ACHE (0.56) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL126448 0.83 CYP1A2 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL130129 0.80 ACHE (0.50) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL126320 0.77 CASR (0.54) LMNAALDH1A1SMN1; SMN2ACHECYP2D6
SCHEMBL132498 0.77 ALDH1A1 (0.60) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL126714 0.77 ALDH1A1 (0.55) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL125814 0.73 SIGMAR1 (0.59) ALDH1A1KDM1AKCNH2
SCHEMBL127733 0.72 ACHE (0.44) LMNAKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL125399 0.71 ALDH1A1 (0.60) LMNAKDM4EALDH1A1KDM1AL3MBTL1

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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 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 (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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 LMNA 2671/4885KDM4E 2286/4885ALDH1A1 375/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS LMNA 2334/4885KDM4E 2059/4885ALDH1A1 564/4885

“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.