SCHEMBL1796385

SCHEMBL1796385

NCCOc1ccc2sc3ccc(OCCN)cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ HTR1A P08908 3/20 0.41
▸ HTR1B P28222 3/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1795570 0.93 TAAR1 (0.40) TAAR1LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL1794066 0.91 HTR1A (0.42) HTR1AHTR1BHTR1DKDM4EPDK2
SCHEMBL1799775 0.90 KDM4E (0.50) TAAR1LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL11820703 0.89 HTR1A (0.44) HTR1AHTR1BHTR1DKDM4EMAPT
SCHEMBL1794474 0.85 TAAR1 (0.45) TAAR1LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL1795521 0.84 HTR1A (0.38) HTR1AHTR1BHTR1DKDM4ESMN1; SMN2
SCHEMBL7110841 0.81 SMN1; SMN2 (0.50) TAAR1LTA4HPLA2G2AHTR1BKDM4E
SCHEMBL1795750 0.81 KDM4E (0.49) HTR1AHTR1BHTR1DKDM4ENPC1
SCHEMBL13502295 0.81 MTNR1A (0.47) LTA4HHTR1AHTR1BKDM4ESMN1; SMN2
SCHEMBL1796427 0.79 TAAR1 (0.40) TAAR1LTA4HPLA2G2AKDM4EPARP1

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 TAAR1 75/4885LTA4H 1340/4885PLA2G2A 2853/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 TAAR1 77/4885LTA4H 1456/4885PLA2G2A 1870/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 TAAR1 71/4885LTA4H 1047/4885PLA2G2A 1870/4885

“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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