SCHEMBL1147350

SCHEMBL1147350

CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ EPHX2 P34913 2/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.41
▸ TAOK3 Q9H2K8 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL15387698 0.84 KMT2A (0.50) KMT2AEPHX2NAMPTRXFP1RAB9A
SCHEMBL1147492 0.83 EPHX2 (0.47) KMT2AEPHX2MGLLALDH1A1MAPT
SCHEMBL1146847 0.82 ALDH1A1 (0.50) KMT2AEPHX2RAB9AMGLLALDH1A1
SCHEMBL1147398 0.81 NPC1 (0.61) KMT2ARAB9AFAAHALDH1A1MAPT
Hydrochloric Acid SCHEMBL15387462 0.80 NPC1 (0.60) KMT2ARAB9AFAAHALDH1A1MAPT
SCHEMBL1147421 0.80 NPC1 (0.56) KMT2ARAB9AFAAHALDH1A1MAPT
SCHEMBL1147240 0.80 FAAH (0.51) KMT2AEPHX2RAB9AFAAHALDH1A1
SCHEMBL1146884 0.80 FAAH (0.50) KMT2ANAMPTRAB9AFAAHALDH1A1
SCHEMBL1147452 0.79 MAPT (0.63) KMT2AEPHX2NAMPTRAB9AFAAH
Hydrochloric Acid SCHEMBL1147225 0.79 FAAH (0.50) KMT2AEPHX2RAB9AFAAHALDH1A1

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-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 — — WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 — — 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 (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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 KMT2A 1526/4885EPHX2 3415/4885NAMPT 2246/4885

“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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