SCHEMBL12720

SCHEMBL12720

COCCN1CCC[C@@H](C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
KDM4E B2RXH2 7/20 0.42
KMT2A Q03164 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL12449627 1.00 ALDH1A1 (0.48) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL13570088 0.96 ALDH1A1 (0.43) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL21227408 0.94 ALDH1A1 (0.47) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL12607 0.92 ALDH1A1 (0.53) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL12449626 0.89 SIGMAR1 (0.49) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL12516 0.89 SIGMAR1 (0.49) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL27369971 0.88 KMT2A (0.46) ALDH1A1SIGMAR1KDM4EKMT2ATDP1
SCHEMBL12449655 0.85 KDM4E (0.55) ALDH1A1KDM4EKMT2ATDP1HRH3
SCHEMBL12837 0.85 KDM4E (0.55) ALDH1A1KDM4EKMT2ATDP1HRH3
SCHEMBL12449658 0.85 KDM4E (0.55) ALDH1A1KDM4EKMT2ATDP1HRH3

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 3185/4885CARM1 1021/4885PRMT6 618/4885

“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.