SCHEMBL6230136

SCHEMBL6230136

CNC(=O)CCC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.45
HPGD P15428 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
GAA P10253 1/20 0.41
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
ALOX15 P16050 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EPHX1 P07099 1/20 0.39
F2R P25116 3/20 0.39
HTR4 Q13639 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 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
Hydrochloric Acid SCHEMBL6229688 0.98 TNKS2 (0.44) TNKS2HPGDGNAI3GNAO1GNAI1
SCHEMBL485662 0.89 FAAH (0.44) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL8391885 0.86
SCHEMBL8392196 0.82 HPGD (0.55) HPGDGAALMNATSHR
SCHEMBL6392074 0.82 HPGD (0.60) HPGDGAATSHR
SCHEMBL8393928 0.80 HPGD (0.63) HPGDGAAALOX15TSHR
SCHEMBL5245833 0.80 HPGD (0.63) HPGDGAAALOX15TSHR
SCHEMBL8018459 0.80 EPHX1 (0.53) HPGDGNAI3GNAO1GNAI1ALOX15
SCHEMBL11317564 0.79 GNAI3 (0.43) TNKS2GNAI3GNAO1GNAI1ITGB3
SCHEMBL14723948 0.78 ITGB3 (0.49) TNKS2GNAI3GNAO1GNAI1ITGB3

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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-23 US disclosed
CN-104987326-A Mass labels for biomolecules containing a 2,6-dimethyl-piperidin-L-YL methylene or a pyrimidin-2-YL thiomethylene mass marker moiety and a succinimid-oxy-carbonyl reactive functional group ELECTROPHORETICS LTD 2015-10-21 CN disclosed
EP-1517894-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-03-30 EP disclosed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
WO-2004005255-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 WO disclosed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN disclosed
US-4289772-A PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 1981-09-15 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 (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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BPGM, PNMT, DDT TNKS2 3393/4885HPGD 2760/4885GNAI3 2857/4885

“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.