SCHEMBL2024050

SCHEMBL2024050

CCC[CH]N1CCN(c2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MDM2 Q00987 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
SCHEMBL3629706 0.75 DRD2 (0.58) LMNAMAPTHTTALDH1A1POLB
SCHEMBL1447953 0.74
SCHEMBL10498542 0.74 LMNA (0.70) LMNAMAPTGAAHTTALDH1A1
SCHEMBL6663539 0.74
SCHEMBL3910170 0.73 LMNA (0.57) LMNAMAPTKMT2AMEN1
SCHEMBL2633644 0.72 MEN1 (0.54) LMNAMAPTALDH1A1POLBTSHR
SCHEMBL3897739 0.72 LMNA (0.57) LMNAMAPTGAAHTTALDH1A1
SCHEMBL9286378 0.70 LMNA (0.59) LMNAMAPT
SCHEMBL27521550 0.69 LMNA (0.53) LMNAMAPTGAAHTTALDH1A1
SCHEMBL8957619 0.69 LMNA (0.45) LMNAMAPTGAAHTTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516383-B1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2017-05-03 EP disclosed
US-8691839-B2 Aminotetraline derivatives GMEINER PETER (DE) 2014-04-08 US disclosed
US-20130331429-A1 AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2013-12-12 US disclosed
US-8586603-B2 Aminotetraline derivatives GMEINER PETER (DE) 2013-11-19 US disclosed
US-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2012-11-01 US disclosed
EP-2516383-A1 NEW AMINOTETRALINE DERIVATIVES Gmeiner, Peter (DE) 2012-10-31 EP disclosed
WO-2011076708-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2011-06-30 WO disclosed
EP-2338873-A1 New aminotetraline derivatives Gmeiner, Peter (DE) 2011-06-29 EP 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 (2 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-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES AADAT, ABAT, AANAT LMNA 1699/4885MAPT 130/4885GAA 2312/4885
US-20130331429-A1 AMINOTETRALINE DERIVATIVES AADAT, ABAT, SLC1A2 LMNA 2868/4885MAPT 58/4885GAA 1301/4885

“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.