SCHEMBL7812865

SCHEMBL7812865

c1ccc2c(N3CCC4(CC3)OCCO4)coc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 1/20 0.42
LGMN Q99538 1/20 0.42
POLB P06746 1/20 0.41
PHGDH O43175 1/20 0.40
PRKDC P78527 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL24524524 0.80 KDM4E (0.77) ALDH1A1KDM4ELMNAHTTPHGDH
SCHEMBL28241794 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EPHGDHPRKDCMAPK1
SCHEMBL11321507 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EPHGDHPRKDCKMT2A
SCHEMBL3588307 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EPHGDHPRKDCCHRNB2
SCHEMBL3560946 0.76 HTR6 (0.53) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL14804198 0.73 ADRB1 (0.50) ALDH1A1KDM4ELMNAHTTLGMN
SCHEMBL22053011 0.72 LGMN (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL23536222 0.72 LGMN (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL14117670 0.72 ADRB1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL14336963 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNALGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323217-B2 CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
US-20010034352-A1 Piperidine-4 sulphonamide compounds LES LABORATOIRES SERVIER (FR) 2001-10-25 US disclosed
EP-1122254-A2 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-08 EP 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-20010034352-A1 Piperidine-4 sulphonamide compounds KDR, GLS, FLT1 ALDH1A1 383/4885KDM4E 1401/4885SMN1; SMN2 3150/4885

“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.