SCHEMBL1751084

SCHEMBL1751084

c1ccc(OCN2CCC[C@@H]2Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38

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
SCHEMBL7246918 0.82 CARM1 (0.40) CHRNB4CHRNA3SMN1; SMN2
SCHEMBL4322788 0.77 MEN1 (0.39) SMN1; SMN2
SCHEMBL5152354 0.77 KDM4E (0.50) HRH3DRD2DRD4KDM4EALDH1A1
SCHEMBL27368213 0.76 KDM4E (0.40) HRH3KDM4EALDH1A1SMN1; SMN2SPHK2
SCHEMBL8641777 0.76 HRH3 (0.57) HRH3KDM4EALDH1A1SMN1; SMN2SPHK2
SCHEMBL6054496 0.74 PRCP (0.42) DRD3ALDH1A1
SCHEMBL6590979 0.72 TDP1 (0.37) HRH3CHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL8641764 0.72 HRH3 (0.50) HRH3SPHK2SPHK1
SCHEMBL11508468 0.71 FFAR1 (0.44) HRH3CHRNB4CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL1751111 0.71 L3MBTL1 (0.57) HRH3DRD2DRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HRH3 4250/4885DRD2 4100/4885DRD4 3574/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 HRH3 4317/4885DRD2 4189/4885DRD4 3697/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HRH3 4250/4885DRD2 4100/4885DRD4 3574/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HRH3 4209/4885DRD2 4620/4885DRD4 4115/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 HRH3 4209/4885DRD2 4620/4885DRD4 4115/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HRH3 4209/4885DRD2 4620/4885DRD4 4115/4885

“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.