SCHEMBL3299124

SCHEMBL3299124

COC(=O)C(Nc1ccccc1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL3307077 0.84 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL4971452 0.83 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL1819794 0.78 LMNA (0.97) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL2789416 0.78 LMNA (0.97) KMT2AALDH1A1LMNAMEN1TSHR
Hydrochloric Acid SCHEMBL5606289 0.77 LMNA (1.00) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL7657250 0.76 LMNA (0.94) KMT2AALDH1A1LMNAMEN1TSHR
Mandelic Acid, Methyl Ester SCHEMBL29214409 0.72 KMT2A (0.60) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL11844280 0.72 TDP1 (0.54) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL4559889 0.72 ALDH1A1 (0.50) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL1683002 0.72 RAB9A (0.58) KMT2AALDH1A1LMNAMEN1TSHR

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-20100099880-A1 Alternate Process for Remifentanil Preparation MALLINCKRODT INC. 2010-04-22 US disclosed
EP-2081899-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION Mallinckrodt Inc. (US) 2009-07-29 EP disclosed
US-20080312448-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-18 US disclosed
EP-1984336-A2 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT, INC. (US) 2008-10-29 EP disclosed
WO-2008045192-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION MALLINCKRODT INC. (US) 2008-04-17 WO disclosed
WO-2007087164-A2 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT INC. (US) 2007-08-02 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-20100099880-A1 Alternate Process for Remifentanil Preparation OPRK1, OPRM1, OGFR KMT2A 694/4885ALDH1A1 916/4885LMNA 3914/4885
US-20080312448-A1 Process for Synthesizing Remifentanil OPRM1, OPRK1, OPRD1 KMT2A 148/4885ALDH1A1 549/4885LMNA 3790/4885

“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.