SCHEMBL10207547

SCHEMBL10207547

COCCNCc1cc(C(C)C)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HTT P42858 3/20 0.49
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ MTOR P42345 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ XBP1 P17861 1/20 0.33

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
SCHEMBL13091288 0.81 SMN1; SMN2 (0.38) L3MBTL1HTTMAPK1SMN1; SMN2SCN8A
SCHEMBL13104123 0.80 HTT (0.53) L3MBTL1HTTBACE1BACE2MTOR
SCHEMBL765514 0.78 ALDH1A1 (0.35) L3MBTL1HTTMAPK1SMN1; SMN2BACE1
SCHEMBL11994363 0.76 IDO1 (0.36) L3MBTL1HTTSMN1; SMN2LMNAMAPT
SCHEMBL13091285 0.74 PARP1 (0.42) MAPK1BACE1MTORADRB2LMNA
SCHEMBL10223307 0.74 L3MBTL1 (0.97) L3MBTL1HTTMAPK1SMN1; SMN2LMNA
SCHEMBL13091290 0.73 TSHR (0.41) SMN1; SMN2MAPT
SCHEMBL10223330 0.73 L3MBTL1 (0.65) L3MBTL1HTTBACE1SCN8A
SCHEMBL10289693 0.70 LMNA (0.38) HTTLMNA
SCHEMBL18929486 0.70 HSP90AA1 (0.38) HTTLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
EP-1951690-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 — — EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 — — US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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 (4 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 L3MBTL1 1436/4885HTT 2867/4885MAPK1 2786/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 L3MBTL1 2178/4885HTT 3632/4885MAPK1 3848/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 L3MBTL1 2178/4885HTT 3632/4885MAPK1 3848/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 L3MBTL1 2178/4885HTT 3632/4885MAPK1 3848/4885

“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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