SCHEMBL8981923

SCHEMBL8981923

CNN1CCN(c2ccccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.60
▸ POLB P06746 1/20 0.60
▸ PLD1 Q13393 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29857922 0.84 PLD1 (0.73) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL21353591 0.84 — —
SCHEMBL15800694 0.84 PLD1 (0.73) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL9639408 0.81 KDM4E (0.59) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL159733 0.79 PLD1 (0.61) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL29904791 0.79 PLD1 (0.61) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL12918421 0.77 LMNA (0.52) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL10401973 0.77 ALDH1A1 (0.56) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL7488520 0.77 ALDH1A1 (0.59) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL28808564 0.77 KDM4E (0.60) KDM4EPOLBALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016065-B1 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2012-09-19 — — EP disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 — — US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 — — US disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 — — US disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 — — US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 — — US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 — — US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 — — US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 — — US disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 — — 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 (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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD KDM4E 2108/4885POLB 1269/4885PLD1 2548/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 KDM4E 2168/4885POLB 4117/4885PLD1 269/4885

“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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