SCHEMBL12516

SCHEMBL12516

COCCCN1CCC[C@@H](C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HRH3 Q9Y5N1 10/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 4/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12449626 1.00 SIGMAR1 (0.49) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL12704907 0.93 SIGMAR1 (0.54) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL27369971 0.92 KMT2A (0.46) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL12720 0.89 ALDH1A1 (0.48) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL12449627 0.89 ALDH1A1 (0.48) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL20234909 0.87 KDM4E (0.55) SIGMAR1HRH3KMT2AKDM4ERECQL
SCHEMBL13052 0.86 HRH3 (0.56) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL12449633 0.86 HRH3 (0.56) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL12449644 0.86 HRH3 (0.56) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL20234910 0.85 HRH3 (0.56) SIGMAR1HRH3KMT2AKDM4ERECQL

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 SIGMAR1 3225/4885HRH3 571/4885KMT2A 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.