SCHEMBL5171502

SCHEMBL5171502

Cc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.64
MITF O75030 1/20 0.64
CCR6 P51684 5/20 0.59
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 3/20 0.51
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.40
METAP1 P53582 2/20 0.40

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
SCHEMBL6866333 1.00 HSP90AA1 (0.64) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL5172937 0.96 HSP90AA1 (0.63) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL7045002 0.96 HSP90AA1 (0.63) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL5171700 0.92 HSP90AA1 (0.76) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL6870843 0.92 HSP90AA1 (0.76) HSP90AA1MITFCCR6NPC1RAB9A
Hydrochloric Acid SCHEMBL27803487 0.90 HSP90AA1 (0.78) HSP90AA1MITFCCR6NPC1RAB9A
Hydrochloric Acid SCHEMBL1524268 0.90 HSP90AA1 (0.78) HSP90AA1MITFCCR6NPC1RAB9A
Hydrochloric Acid SCHEMBL1524265 0.90 HSP90AA1 (0.78) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL6865454 0.88 CCR6 (0.73) HSP90AA1MITFCCR6NPC1RAB9A
SCHEMBL6868001 0.88 HSP90AA1 (0.63) HSP90AA1MITFCCR6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP disclosed
US-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US disclosed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US disclosed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 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 (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-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives ALOX5, PGA5, ANXA5 HSP90AA1 3894/4885MITF 1595/4885CCR6 3774/4885

“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.