SCHEMBL12669

SCHEMBL12669

COCCCN1CC[C@@H](C)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAOB P27338 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL25662587 1.00 HRH3 (0.44) HRH3SIGMAR1MAOBHRH2HRH1
SCHEMBL12449703 1.00 HRH3 (0.44) HRH3SIGMAR1MAOBHRH2HRH1
SCHEMBL13052 0.89 HRH3 (0.56) HRH3MAOBHRH2HRH1ALDH1A1
SCHEMBL12449644 0.89 HRH3 (0.56) HRH3MAOBHRH2HRH1ALDH1A1
SCHEMBL12449633 0.89 HRH3 (0.56) HRH3MAOBHRH2HRH1ALDH1A1
SCHEMBL12704907 0.88 SIGMAR1 (0.54) HRH3SIGMAR1MAOBHRH2HRH1
SCHEMBL12449698 0.88 ALDH1A1 (0.46) HRH3SIGMAR1ALDH1A1KDM4E
SCHEMBL12449700 0.88 ALDH1A1 (0.46) HRH3SIGMAR1ALDH1A1KDM4E
SCHEMBL12951 0.88 ALDH1A1 (0.46) HRH3SIGMAR1ALDH1A1KDM4E
SCHEMBL9374563 0.83 SIGMAR1 (0.46) HRH3SIGMAR1KDM4ERECQLTDP1

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 HRH3 571/4885SIGMAR1 3225/4885MAOB 1446/4885

“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.