SCHEMBL1799775

SCHEMBL1799775

NCCOc1ccc2sc3ccc(OCCN)cc3c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PARP1 P09874 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ LTA4H P09960 2/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1795750 0.92 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1796385 0.90 TAAR1 (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1796427 0.87 TAAR1 (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1795570 0.83 TAAR1 (0.40) KDM4EALDH1A1MAPTRAB9APARP1
SCHEMBL1794066 0.81 HTR1A (0.42) KDM4EMAPTTDP1HTR1AHTR1D
SCHEMBL1794519 0.81 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL15392382 0.80 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1795468 0.80 KDM4E (0.50) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1797418 0.80 KDM4E (0.50) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL11820703 0.79 HTR1A (0.44) KDM4EMAPTTDP1HTR1AHTR1D

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-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 — — US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — 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 (3 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 KDM4E 2818/4885NPC1 927/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885NPC1 1584/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885NPC1 1148/4885ALDH1A1 1103/4885

“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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