SCHEMBL20952011

SCHEMBL20952011

CCOC(=O)c1cc(F)c2nc(N3CCC(=O)CC3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 8/20 0.43
POLB P06746 1/20 0.43
PCSK9 Q8NBP7 2/20 0.43
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL20951881 0.77 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL28548830 0.76 RAB9A (0.45) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL22654681 0.76 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL19899989 0.76 ALDH1A1 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL22790024 0.75 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL28603507 0.73 THRB (0.53) RAB9AMAPTPCSK9NAAAKMT2A
SCHEMBL28917875 0.72 THRB (0.49) RAB9AMAPTPCSK9NAAAKMT2A
SCHEMBL28585797 0.70 KDM4E (0.46) RAB9AALDH1A1NPC1MAPTPCSK9
SCHEMBL21062036 0.69 MEN1 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL21061989 0.69 MEN1 (0.52) SMN1; SMN2RAB9AALDH1A1NPC1MAPT

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
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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 (2 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 SMN1; SMN2 4433/4885RAB9A 1848/4885ALDH1A1 2649/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 SMN1; SMN2 4433/4885RAB9A 1848/4885ALDH1A1 2649/4885

“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.