SCHEMBL9989965

SCHEMBL9989965

CC1(CNC(=O)O)COC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
POLB P06746 1/20 0.39
NAMPT P43490 2/20 0.39
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL21813303 0.83 OPRM1 (0.33) POLBCYP2D6CYP2C19OPRM1OPRL1
SCHEMBL15461403 0.83 EPHX1 (0.44) EPHX1POLBNAMPTNPC1RAB9A
SCHEMBL23148611 0.81 EPHX1 (0.36) EPHX1POLBNAMPTNPC1RAB9A
SCHEMBL21246176 0.81 EPHX1 (0.43) EPHX1POLBNAMPTNPC1RAB9A
SCHEMBL21813301 0.80 GABRP (0.33) POLBNAMPTOPRM1OPRL1GABRA1
SCHEMBL2343051 0.79
SCHEMBL18347931 0.78 EPHX1 (0.40) EPHX1POLBNAMPTCYP2D6CYP2C19
SCHEMBL20464427 0.78 EPHX1 (0.40) EPHX1POLBNAMPTNPC1RAB9A
SCHEMBL5540101 0.76
SCHEMBL21814069 0.76 GABRA1 (0.31) CYP2D6CYP2C19GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-104370909-A Novel tricyclic compounds ABBOTT LAB 2015-02-25 CN 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
CN-102711476-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN 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 EPHX1 988/4885POLB 2750/4885NAMPT 788/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 EPHX1 988/4885POLB 2750/4885NAMPT 788/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 EPHX1 988/4885POLB 2750/4885NAMPT 788/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 EPHX1 988/4885POLB 2750/4885NAMPT 788/4885

“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.