SCHEMBL11943448

SCHEMBL11943448

CCn1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC(C)C)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.44
▸ DRD4 P21917 5/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ DCTPP1 Q9H773 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMO Q99835 1/20 0.39

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
SCHEMBL11943440 0.87 KMT2A (0.44) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943455 0.86 KMT2A (0.43) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943070 0.84 MAPT (0.43) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943343 0.83 MAPT (0.46) MAPTKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11943380 0.83 LMNA (0.52) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL11943399 0.83 ALDH1A1 (0.44) DRD2DRD3HTR1AALDH1A1
SCHEMBL13329739 0.82 KMT2A (0.41) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943405 0.81 DRD2 (0.40) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943404 0.81 SMO (0.43) DRD2DRD4DRD3HTR1AMAPT
SCHEMBL11943362 0.81 SMO (0.52) DRD2DRD4DRD3MAPTKMT2A

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
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA DRD2 4876/4885DRD4 4875/4885DRD3 4829/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DRD2 4866/4885DRD4 4876/4885DRD3 4865/4885

“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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