SCHEMBL12449566

SCHEMBL12449566

CC(C)CCOC1CCN(Cc2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PIK3R5 Q8WYR1 1/20 0.42
▸ PIK3R3 Q92569 1/20 0.42
▸ SIGMAR1 Q99720 6/20 0.42
▸ DRD4 P21917 5/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ TEAD1 P28347 2/20 0.39
▸ PRMT5 O14744 1/20 0.38

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
SCHEMBL12449581 0.86 MCHR1 (0.49) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL18082557 0.85 TMEM97 (0.48) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL12449589 0.83 MCHR1 (0.46) SIGMAR1DRD4DRD3MCHR1FFAR1
SCHEMBL12449565 0.78 KDM4E (0.47) SIGMAR1DRD4DRD3TMEM97CARM1
SCHEMBL12450 0.77 SIGMAR1 (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13919675 0.75 ALDH1A1 (0.51) MEN1MAPK1KMT2ASIGMAR1TEAD1
SCHEMBL12449570 0.75 BRD4 (0.46) SIGMAR1FFAR1
SCHEMBL13439733 0.74 OPRK1 (0.53) MCHR1FFAR1
SCHEMBL13439732 0.74 OPRK1 (0.53) MCHR1FFAR1
SCHEMBL12449572 0.73 ALDH1A1 (0.54) MEN1KMT2ASIGMAR1TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 1024/4885MAPK1 81/4885KMT2A 936/4885

“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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