SCHEMBL21760459

SCHEMBL21760459

O=C(NC1(c2nn[nH]n2)CC1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL2394757 0.81 CTSS (0.45) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL14705997 0.77 P2RX7 (0.47) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL19920775 0.76 CTSL (0.46) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL2389829 0.76 CTSS (0.45) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL2395204 0.75 CTSB (0.47) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL2391117 0.74 CTSL (0.46) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL5097407 0.74 MIF (0.49) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL16545238 0.72 ALDH1A1 (0.45) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL22395151 0.72 ATM (0.47) CTSLCTSBCTSSPOLBSMN1; SMN2
SCHEMBL2391134 0.72 CTSS (0.42) CTSLCTSBCTSSPOLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161625-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-12-10 US disclosed
EP-3922634-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2023-10-25 EP disclosed
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-31 US disclosed
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-31 US disclosed
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-31 US disclosed
US-20210251957-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-08-19 US disclosed
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 (5 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 CTSL 1324/4885CTSB 2201/4885CTSS 3150/4885
US-12161625-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS CTSL 1324/4885CTSB 2201/4885CTSS 3150/4885
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS CTSL 1324/4885CTSB 2201/4885CTSS 3150/4885
US-10874640-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS CTSL 1324/4885CTSB 2201/4885CTSS 3150/4885
US-20210251957-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS CTSL 1324/4885CTSB 2201/4885CTSS 3150/4885

“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.