SCHEMBL12725

SCHEMBL12725

C[C@H]1CCCN(CCc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL12929 1.00 ACHE (0.66) ACHESLC6A3SIGMAR1HPGDSMN1; SMN2
SCHEMBL11205656 1.00 ACHE (0.66) ACHESLC6A3SIGMAR1HPGDSMN1; SMN2
SCHEMBL7979173 0.91 L3MBTL1 (0.62) SIGMAR1HRH3
SCHEMBL19850993 0.91 L3MBTL1 (0.62) SIGMAR1HRH3
SCHEMBL14197718 0.90 ACHE (0.81) ACHESLC6A3SIGMAR1HRH3CYP3A4
SCHEMBL14106253 0.90 ACHE (0.81) ACHESLC6A3SIGMAR1HRH3CYP3A4
SCHEMBL491602 0.84 HRH3 (0.68) HRH3
SCHEMBL12717 0.83 CYP3A4 (0.66) ACHESIGMAR1HPGDSMN1; SMN2HRH3
SCHEMBL5304179 0.83 CYP3A4 (0.66) ACHESIGMAR1HPGDSMN1; SMN2HRH3
SCHEMBL13083 0.83 CYP3A4 (0.66) ACHESIGMAR1HPGDSMN1; SMN2HRH3

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 ACHE 2535/4885SLC6A3 3718/4885SIGMAR1 3225/4885

“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.