SCHEMBL12449581

SCHEMBL12449581

CC(C)CCOC1CCN(Cc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.49
▸ SIGMAR1 Q99720 5/20 0.45
▸ TEAD1 P28347 2/20 0.44
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PIK3R5 Q8WYR1 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ DRD4 P21917 2/20 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
SCHEMBL12449566 0.86 MEN1 (0.43) MCHR1SIGMAR1TEAD1PIK3CDPIK3R2
SCHEMBL12450 0.86 SIGMAR1 (0.51) SIGMAR1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL12449583 0.81 MCHR1 (0.55) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL18082557 0.77 TMEM97 (0.48) SIGMAR1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL25531003 0.76 SIGMAR1 (0.50) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL12449546 0.76 TEAD1 (0.54) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL797735 0.74 SIGMAR1 (0.60) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL25531180 0.74 SIGMAR1 (0.60) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL25531010 0.74 TEAD1 (0.52) MCHR1SIGMAR1TEAD1MEN1KMT2A
SCHEMBL25531179 0.74 SIGMAR1 (0.60) MCHR1SIGMAR1TEAD1MEN1KMT2A

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 3 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

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 MCHR1 4731/4885SIGMAR1 3225/4885TEAD1 602/4885

“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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