SCHEMBL3260267

SCHEMBL3260267

C=C(C(N)=O)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
TSHR P16473 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
PMP22 Q01453 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
NOS2 P35228 1/20 0.48
CYP2D6 P10635 2/20 0.39

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
SCHEMBL30948754 0.87 KMT2A (0.48) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL730807 0.83 TDP1 (0.38) NOS2CYP2D6KMT2AKDM4EMAPT
SCHEMBL543402 0.83
SCHEMBL2351082 0.79 TSHR (0.58) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL4743865 0.78
SCHEMBL532571 0.78 CES2 (0.43) TSHRNOS2CYP2D6KMT2AKDM4E
SCHEMBL21573965 0.77 TSHR (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL3114031 0.76 CES2 (0.48) TSHRNOS2CYP2D6KMT2AKDM4E
SCHEMBL4079495 0.76 CES2 (0.48) TSHRNOS2CYP2D6KMT2AKDM4E
SCHEMBL163416 0.76 CES2 (0.48) TSHRNOS2CYP2D6KMT2AKDM4E

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-20100048633-A1 Piperidine-4-acrylamides LEHR PHILIPP 2010-02-25 US disclosed
US-20100048633-A1 Piperidine-4-acrylamides LEHR PHILIPP 2010-02-25 US disclosed
CN-101600693-A The piperidin-acetamide derivatives that is used for the treatment of inflammatory or anaphylactic disease NOVARTIS AG (CH) 2009-12-09 CN disclosed
EP-2125731-A1 PIPERIDIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC DISEASES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008092844-A1 PIPERIDIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC DISEASES NOVARTIS AG (CH) 2008-08-07 WO disclosed
WO-2006071035-A1 NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES LG LIFE SCIENCES, LTD. (KR) 2006-07-06 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-20100048633-A1 Piperidine-4-acrylamides CCR3, CCR1, CCR4 GABRA1 1814/4885TSHR 2900/4885GABRG2 1387/4885

“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.