SCHEMBL6333366

SCHEMBL6333366

NC1(C(=O)O)CC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
GRM4 Q14833 9/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GRM8 O00222 2/20 0.41
GRM6 O15303 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 4/20 0.40
GRM3 Q14832 4/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
MTOR P42345 1/20 0.40
GRM1 Q13255 1/20 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
1-Aminocyclopropane Carboxylic Acid SCHEMBL3967053 0.80
1-Aminocyclopropane Carboxylic Acid SCHEMBL61082 0.80
SCHEMBL31348874 0.80 NSD2 (0.63) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclopropane Carboxylic Acid SCHEMBL21462059 0.80 NSD2 (0.63) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclopropane Carboxylic Acid SCHEMBL8881137 0.77 NSD2 (0.60) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclopropane Carboxylic Acid SCHEMBL27906548 0.77
1-Aminocyclopropane Carboxylic Acid SCHEMBL20515161 0.77 NSD2 (0.60) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclopropane Carboxylic Acid SCHEMBL1320265 0.77
1-Aminocyclopropane Carboxylic Acid SCHEMBL8881129 0.77
Cycloleucine SCHEMBL21462057 0.75 NSD2 (0.50) NSD2GRM4CYP1A2CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 NSD2 555/4885GRM4 2113/4885CYP1A2 12/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 NSD2 538/4885GRM4 2399/4885CYP1A2 28/4885

“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.