SCHEMBL17586272

SCHEMBL17586272

O=C(NCC12CC(C1)C2)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 8/20 0.47
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX7 Q99572 3/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL6384681 0.92 ALDH1A1 (0.61) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL10248081 0.78 ALDH1A1 (0.58) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL30566839 0.77 ALDH1A1 (0.37) ALDH1A1TSHREPHX2HSD17B10POLB
Hydrochloric Acid SCHEMBL25370641 0.75 ALDH1A1 (0.36) ALDH1A1TSHREPHX2POLBSMN1; SMN2
SCHEMBL14552719 0.75 ALDH1A1 (0.54) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL8253328 0.74 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8254024 0.74 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14950072 0.74 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL2634441 0.74 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL1847712 0.73 HSD11B1 (0.42) ALDH1A1TSHREPHX2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242327-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2022-02-08 US disclosed
EP-3193855-B1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2021-05-19 EP disclosed
US-10975035-B2 Bicyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-04-13 US disclosed
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 US disclosed
US-20190233377-A1 BICYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2019-08-01 US disclosed
US-10308609-B2 Bicyclic compounds Zeno Royalties & Milestones, LLC (US) 2019-06-04 US disclosed
US-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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 (6 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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE ALDH1A1 144/4885TSHR 3914/4885EPHX2 194/4885
US-11242327-B2 Analgesic compounds INA, IK, ACHE ALDH1A1 144/4885TSHR 3914/4885EPHX2 194/4885
US-20190233377-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885TSHR 3809/4885EPHX2 420/4885
US-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885TSHR 3809/4885EPHX2 420/4885
US-10975035-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885TSHR 3809/4885EPHX2 420/4885
US-10308609-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885TSHR 3809/4885EPHX2 420/4885

“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.