SCHEMBL13018

SCHEMBL13018

C[C@@H]1CCCN(C(=O)CC2CCCCC2)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CTSD P07339 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ RECQL P46063 1/20 0.44
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL12449650 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL15014491 0.93 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL19864779 0.93 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL12449689 0.92 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL12831 0.92 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL19864581 0.87 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL12256 0.86 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL12251 0.86 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL17787750 0.82 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL13688849 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 — — EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 — — 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ALDH1A1 3185/4885LMNA 4520/4885MEN1 1024/4885

“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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