SCHEMBL12534

SCHEMBL12534

C[C@@H]1CCCN(C2CCCNC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
ADRA1A P35348 5/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL12533 1.00 HTR6 (0.52) HTR6PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL18082909 1.00 HTR6 (0.52) HTR6PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20757858 0.91 HTR6 (0.48) HTR6ARG1ARG2HTR3EHTR3B
SCHEMBL20758015 0.91 HTR6 (0.48) HTR6ARG1ARG2HTR3EHTR3B
SCHEMBL23482908 0.91 HTR6 (0.48) HTR6ADRA1ALMNAALDH1A1
SCHEMBL18427060 0.86 HTR6 (0.35) HTR6ADRA1ALMNAALDH1A1
SCHEMBL24183458 0.86 HTR6 (0.35) HTR6ADRA1ALMNAALDH1A1
Hydrochloric Acid SCHEMBL28842926 0.84 ALDH1A1 (0.35) HTR6ADRA1ALMNAALDH1A1
SCHEMBL22522213 0.83 HTR6 (0.47) HTR6LMNAALDH1A1
SCHEMBL5228670 0.79 HTR6 (0.57) HTR6ARG1ARG2LMNAALDH1A1

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 HTR6 3296/4885PIK3CD 5/4885PIK3R2 27/4885

“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.