SCHEMBL4359233

SCHEMBL4359233

O=C(Cl)[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
FABP7 O15540 2/20 0.42
FABP5 Q01469 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR3 P32745 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL1372951 1.00 TSHR (0.43) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL29401030 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL29516735 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL118231 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL4362743 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL799721 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL29710361 0.89 FABP7 (0.46) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL4353637 0.86 TSHR (0.41) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL1537138 0.86 TSHR (0.41) TSHRKMT2AKDM4EMEN1FABP7
SCHEMBL874549 0.85 SMN1; SMN2 (0.48) KMT2AKDM4EMEN1FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 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 (4 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 TSHR 3417/4885KMT2A 3801/4885KDM4E 4050/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 TSHR 3417/4885KMT2A 3801/4885KDM4E 4050/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 TSHR 3417/4885KMT2A 3801/4885KDM4E 4050/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 TSHR 3417/4885KMT2A 3801/4885KDM4E 4050/4885

“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.