SCHEMBL12449604

SCHEMBL12449604

CC(C)(C)c1ccc(CNC2CCCOC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
HRH3 Q9Y5N1 2/20 0.44
KDM1A O60341 1/20 0.44
POLB P06746 1/20 0.42
TGFBR1 P36897 1/20 0.41
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EP300 Q09472 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CCR2 P41597 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL12449603 0.91 KDM1A (0.46) LTA4HHRH3KDM1APOLBEP300
SCHEMBL11878 0.84 LTA4H (0.56) LTA4HHRH3POLBTGFBR1HDAC1
SCHEMBL12666604 0.83 HRH3 (0.58) HRH3KDM1APOLBHDAC1CYP1A2
SCHEMBL12666606 0.83 HRH3 (0.62) HRH3KDM1APOLBHDAC1CYP1A2
SCHEMBL12449607 0.82 KDM1A (0.48) HRH3KDM1APOLBHDAC1EP300
SCHEMBL12666611 0.82 HRH3 (0.66) HRH3KDM1APOLBHDAC1CYP1A2
SCHEMBL13573585 0.81 LTA4H (0.56) LTA4HHRH3POLBTGFBR1HDAC1
SCHEMBL30164338 0.80 LTA4H (0.62) LTA4HHRH3POLBTGFBR1KDM4E
SCHEMBL18290472 0.80 LTA4H (0.62) LTA4HHRH3POLBTGFBR1KDM4E
SCHEMBL18792185 0.80 LTA4H (0.62) LTA4HHRH3POLBTGFBR1KDM4E

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 LTA4H 2402/4885HRH3 571/4885KDM1A 916/4885

“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.