SCHEMBL12658

SCHEMBL12658

C[C@@H]1CCCN(C2CCN(C)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ADRA1A P35348 12/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.34

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
SCHEMBL14189776 1.00 ALDH1A1 (0.56) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL12449683 1.00 ALDH1A1 (0.56) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL26743234 0.96 ALDH1A1 (0.53) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL25855532 0.94 ALDH1A1 (0.51) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL27292954 0.90 ALDH1A1 (0.46) ALDH1A1ADRA1ASMN1; SMN2LMNA
SCHEMBL22703922 0.87 ALDH1A1 (0.46) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL12717685 0.87 ALDH1A1 (0.46) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL20059837 0.87 ALDH1A1 (0.46) ALDH1A1ADRA1AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL12718106 0.87 ADRA1A (0.41) ALDH1A1ADRA1ASMN1; SMN2LMNA
SCHEMBL13036987 0.87 ADRA1A (0.41) ALDH1A1ADRA1ASMN1; SMN2LMNA

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
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 3185/4885ADRA1A 3308/4885L3MBTL3 4599/4885

“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.