SCHEMBL12449593

SCHEMBL12449593

COCCN(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ LTA4H P09960 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ ACKR3 P25106 1/20 0.39

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
SCHEMBL13336035 0.81 KDM4E (0.43) SIGMAR1TMEM97KCNH2LMNAACHE
SCHEMBL12474 0.80 PYCR1 (0.50) KCNH2ACHELTA4HTSHRMEN1
SCHEMBL26012094 0.79 LTA4H (0.45) KCNH2ACHELTA4HTSHRALDH1A1
SCHEMBL16549287 0.79 MEN1 (0.52) SIGMAR1TMEM97ACHELTA4HTSHR
SCHEMBL3151763 0.79 LTA4H (0.47) SIGMAR1KCNH2LTA4HTSHRMEN1
SCHEMBL28049309 0.79 LMNA (0.49) SIGMAR1TMEM97KCNH2LMNAACHE
SCHEMBL1239426 0.79 KDM4E (0.59) SIGMAR1TMEM97LMNALTA4HTSHR
SCHEMBL615516 0.78 TSHR (0.65) SIGMAR1LMNALTA4HTSHRALDH1A1
SCHEMBL10223590 0.77 KCNH2 (0.64) SIGMAR1TMEM97KCNH2LMNAACHE
SCHEMBL17403540 0.76 KDM4E (0.36) SIGMAR1TMEM97KCNH2LTA4HTSHR

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 SIGMAR1 3225/4885TMEM97 2051/4885KCNH2 1571/4885

“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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