SCHEMBL2671106

SCHEMBL2671106

CC(C)(C)n1ncc(CO)c1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ NPC1 O15118 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL2671285 0.83 PLA2G1B (0.35) PLA2G1BATG4BCYP3A4CYP2D6CYP2C9
SCHEMBL21718845 0.76 PLA2G1B (0.37) PLA2G1BATG4BNPC1MITFALDH1A1
SCHEMBL3771478 0.74 MAPT (0.33) ALDH1A1MAPTSMN1; SMN2
SCHEMBL21720617 0.74 CYP1A2 (0.35) PLA2G1BATG4BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL14167479 0.71 — —
SCHEMBL23188723 0.71 TSHR (0.36) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL15750508 0.69 — —
SCHEMBL15750488 0.69 RIPK2 (0.36) PLA2G1BATG4BALDH1A1RAB9ASMN1; SMN2
SCHEMBL23400603 0.69 GABRA1 (0.35) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL15273680 0.68 HPGD (0.38) NPC1MITFALDH1A1MAPTRAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952514-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-12-09 — — EP disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 — — US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 — — US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 — — US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 — — US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 — — US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 — — US disclosed
EP-2632925-B1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER (US) 2015-05-27 — — EP disclosed
EP-2632925-B1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER (US) 2015-05-27 — — EP disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 — — US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 — — US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 — — US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 — — US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 — — US disclosed
EP-2632925-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2013-09-04 — — EP disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 — — US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 — — US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 — — US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 — — WO disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 — — 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 (3 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY PLA2G1B 2199/4885ATG4B 3102/4885NPC1 175/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY PLA2G1B 2199/4885ATG4B 3102/4885NPC1 175/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY PLA2G1B 2199/4885ATG4B 3102/4885NPC1 175/4885

“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.

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