SCHEMBL2763631

SCHEMBL2763631

NC(=O)[C@]12C(=O)OC[C@@H]1[C@@H]2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
CYP19A1 P11511 4/20 0.36
CTRC Q99895 1/20 0.35
BRD4 O60885 1/20 0.33
CTRB1 P17538 1/20 0.33
PARP1 P09874 1/20 0.33
SLC6A4 P31645 1/20 0.32
OPRK1 P41145 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HDAC4 P56524 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3314355 1.00 SLC9A1 (0.36) SLC9A1CYP19A1CTRCBRD4CTRB1
SCHEMBL2765357 1.00 SLC9A1 (0.36) SLC9A1CYP19A1CTRCBRD4CTRB1
SCHEMBL2784000 0.88 OPRK1 (0.36) SLC9A1CYP19A1CTRCCTRB1OPRK1
SCHEMBL3313168 0.88 OPRK1 (0.36) SLC9A1CYP19A1CTRCCTRB1OPRK1
SCHEMBL2783660 0.78 ABCB1 (0.39) TSHR
SCHEMBL3313465 0.78 ABCB1 (0.39) TSHR
SCHEMBL2783661 0.78 ABCB1 (0.39) TSHR
SCHEMBL3314233 0.78 ABCB1 (0.39) TSHR
SCHEMBL2763632 0.74 CYP19A1 (0.36) CYP19A1TAAR1TSHR
SCHEMBL2765360 0.74 CYP19A1 (0.36) CYP19A1TAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 SLC9A1 269/4885CYP19A1 117/4885CTRC 1294/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 SLC9A1 260/4885CYP19A1 115/4885CTRC 1332/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 SLC9A1 260/4885CYP19A1 115/4885CTRC 1332/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 SLC9A1 272/4885CYP19A1 126/4885CTRC 1339/4885

“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.