SCHEMBL6991909

SCHEMBL6991909

COc1ccc(CNCCO)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.82
POLB P06746 2/20 0.82
RECQL P46063 1/20 0.68
ALDH1A1 P00352 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.55
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54

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
SCHEMBL9672348 0.90 KDM4E (1.00) KDM4EPOLBRECQLALDH1A1HDAC3
SCHEMBL31606732 0.89 KDM4E (0.75) KDM4EPOLBALDH1A1HDAC3HDAC1
SCHEMBL5972208 0.89 KDM4E (0.75) KDM4EPOLBALDH1A1HDAC3HDAC1
SCHEMBL19326714 0.87 KDM4E (0.63) KDM4EPOLBRECQLGLALMNA
Hydrochloric Acid SCHEMBL16799316 0.85 KDM4E (0.61) KDM4EPOLBRECQLGLALMNA
SCHEMBL29484286 0.85 KDM4E (0.69) KDM4EPOLBRECQLALDH1A1HDAC3
SCHEMBL1599701 0.85 KDM4E (0.69) KDM4EPOLBRECQLALDH1A1HDAC3
SCHEMBL1969765 0.85 POLB (0.65) KDM4EPOLBALDH1A1GLASMN1; SMN2
SCHEMBL1966851 0.84 KDM4E (0.69) KDM4EPOLBALDH1A1HDAC3HDAC1
SCHEMBL19789305 0.84 KDM4E (0.60) KDM4EPOLBRECQLALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733632-B1 Cyclic compounds, their production and use as tachykinin receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-06-04 EP disclosed
US-6489315-B1 NOVEL CYCLIC COMPOUNDS HAVING AN EXCELLENT TACHYKININ RECEPTOR ANTAGONISTIC EFFECT, AND A METHOD FOR PRODUCING THEM, FOR TREATING DISORDERS OF INCONTINENCE, ASTHMA, MIGRAINE, IRRITABLE BOWEL SYNDROME, PAIN, COUGH OR EMESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 WO disclosed
US-5786352-A CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
EP-0733632-A1 Cyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 1996-09-25 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 (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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 KDM4E 2384/4885POLB 4262/4885RECQL 4239/4885

“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.