SCHEMBL12030680

SCHEMBL12030680

Cc1ccc(C(=O)C2CCN(C(C)C)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ MGLL Q99685 2/20 0.57
▸ HSD11B1 P28845 1/20 0.57
▸ CYP2D6 P10635 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ DRD4 P21917 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7408128 0.86 HSD11B1 (0.63) MGLLHSD11B1LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7404558 0.84 HSD11B1 (0.61) MGLLHSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL28203216 0.81 KMT2A (0.71) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL728685 0.80 KMT2A (0.72) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL27892703 0.80 KMT2A (0.79) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL6235216 0.79 MEN1 (1.00) KMT2AMEN1MGLLHSD11B1LMNA
SCHEMBL16446847 0.79 KMT2A (0.77) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL29448588 0.79 KMT2A (0.77) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL27892705 0.77 KMT2A (0.65) KMT2AMEN1MGLLHSD11B1CYP2D6
SCHEMBL14924418 0.77 HRH3 (0.70) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 — — US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US 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-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KMT2A 2900/4885MEN1 2975/4885MGLL 424/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KMT2A 2900/4885MEN1 2975/4885MGLL 424/4885

“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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