SCHEMBL6185328

SCHEMBL6185328

O=C([C@@H]1CCCN(C2CCNCC2)C1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.41
DPP4 P27487 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
SCHEMBL6185165 1.00 MAPK1 (0.53) MAPK1ACACBACACACYP1A2LMNA
Hydrochloric Acid SCHEMBL4295644 0.99 MAPK1 (0.52) MAPK1ACACBACACACYP1A2LMNA
Hydrochloric Acid SCHEMBL4300948 0.99 MAPK1 (0.52) MAPK1ACACBACACACYP1A2LMNA
SCHEMBL13609481 0.88 CHRNB2 (0.49) MAPK1ACACBACACALMNACHRNB2
Hydrochloric Acid SCHEMBL4297704 0.87 CHRNB2 (0.47) MAPK1ACACBACACALMNACHRNB2
SCHEMBL13609482 0.87 HPGD (0.50) MAPK1LMNACHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL4302489 0.85 HPGD (0.49) MAPK1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL28722945 0.81 ACACB (0.56) MAPK1ACACBACACACYP1A2LMNA
SCHEMBL493454 0.80 CHRNB2 (0.62) MAPK1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL6183048 0.78 RECQL (0.70) MAPK1ACACBACACACYP1A2LMNA

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-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 MAPK1 2680/4885ACACB 2/4885ACACA 1/4885

“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.