SCHEMBL12829

SCHEMBL12829

C[C@@H]1CCCN(CCOC2CCN(C)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HRH3 Q9Y5N1 11/20 0.43
▸ MAOB P27338 2/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ GAA P10253 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
SCHEMBL12449678 1.00 KDM4E (0.49) KDM4ENPC1ALDH1A1LMNAHRH3
SCHEMBL13367 0.81 NPC1 (0.66) NPC1HRH3
SCHEMBL25565671 0.80 NPC1 (0.53) KDM4ENPC1ALDH1A1LMNAHRH3
SCHEMBL12837 0.78 KDM4E (0.55) KDM4EALDH1A1LMNAHRH3MAOB
SCHEMBL12449655 0.78 KDM4E (0.55) KDM4EALDH1A1LMNAHRH3MAOB
SCHEMBL12449658 0.78 KDM4E (0.55) KDM4EALDH1A1LMNAHRH3MAOB
SCHEMBL25571582 0.77 NPC1 (0.64) KDM4ENPC1ALDH1A1HRH3HRH1
SCHEMBL24922066 0.77 NPC1 (0.46) NPC1HRH3HRH1
SCHEMBL18912343 0.75 NPC1 (0.56) NPC1HRH3
SCHEMBL15101577 0.74 HRH3 (0.65) KDM4EALDH1A1HRH3MAOBHRH2

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 KDM4E 1093/4885NPC1 2123/4885ALDH1A1 3185/4885

“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.

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