SCHEMBL9990508

SCHEMBL9990508

O=C(O)NCCCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.51
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 2/20 0.49
RAD52 P43351 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HTR3A P46098 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9990414 0.98 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2MAPK1ALDH1A1TP53
SCHEMBL7068538 0.94 RAD52 (0.55) SMN1; SMN2CYP1A2MAPK1ALDH1A1TP53
SCHEMBL2755862 0.92 RAD52 (0.53) SMN1; SMN2CYP1A2MAPK1ALDH1A1RAD52
SCHEMBL1934698 0.88 CA12 (0.61) SMN1; SMN2CYP1A2MAPK1ALDH1A1CYP2D6
SCHEMBL5488104 0.86 KDM4E (0.57) SMN1; SMN2CYP1A2MAPK1ALDH1A1TP53
SCHEMBL3896010 0.86 EPHX1 (0.54) SMN1; SMN2CYP1A2MAPK1ALDH1A1TP53
SCHEMBL165673 0.85 CA12 (0.60) CYP1A2ALDH1A1CYP2D6KDM4ECA12
SCHEMBL20545328 0.84 SIGMAR1 (0.51) SMN1; SMN2ALDH1A1TP53RAD52KDM4E
SCHEMBL17525452 0.83 KDM4E (0.54) SMN1; SMN2CYP1A2MAPK1TP53ACHE
SCHEMBL25477818 0.82 RAD52 (0.55) SMN1; SMN2CYP1A2MAPK1RAD52KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-8426411-B2 Tricyclic compounds ABBOTT LABORATORIES (US) 2013-04-23 US disclosed
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 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-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 SMN1; SMN2 2947/4885CYP1A2 17/4885MAPK1 1580/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 SMN1; SMN2 2947/4885CYP1A2 17/4885MAPK1 1580/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 SMN1; SMN2 2947/4885CYP1A2 17/4885MAPK1 1580/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 SMN1; SMN2 2947/4885CYP1A2 17/4885MAPK1 1580/4885

“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.