SCHEMBL21760478

SCHEMBL21760478

CN(C)COCC1(NC(=O)OCc2ccccc2)CC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.42
CYP2C9 P11712 9/20 0.42
TSHR P16473 8/20 0.42
CYP2C19 P33261 8/20 0.42
ALDH1A1 P00352 8/20 0.42
LMNA P02545 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 5/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 4/20 0.41
CTSS P25774 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL19920812 0.81 LMNA (0.44) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL19920764 0.77 CTSB (0.48) CYP3A4TSHRALDH1A1LMNAMEN1
SCHEMBL19900624 0.75 CTSS (0.50) TSHRALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL19900776 0.74 CTSB (0.50) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL19920827 0.73 CTSB (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL28293240 0.73 ALDH1A1 (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL29857191 0.73 CTSS (0.48) TSHRALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL19920769 0.73 CTSL (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL19920814 0.73 LMNA (0.43) ALDH1A1LMNASMN1; SMN2CTSLCTSB
SCHEMBL29420342 0.72 CTSL (0.50) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874640-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-12-29 US disclosed
US-20200061024-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2020-02-27 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-20200061024-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS CYP3A4 218/4885CYP2C9 970/4885TSHR 4242/4885
US-10874640-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS CYP3A4 218/4885CYP2C9 970/4885TSHR 4242/4885

“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.