SCHEMBL21764630

SCHEMBL21764630

CC(C)C(=O)CN1CCCN2CCN(CCCN(CC(=O)O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A9 P48067 1/20 0.35
NPC1 O15118 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18623939 0.93 HSD17B10 (0.42) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL21454476 0.93 HSD17B10 (0.42) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL21454477 0.91 HSD17B10 (0.44) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL24220956 0.88 HSD17B10 (0.47) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL21764427 0.88 HSD17B10 (0.47) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL20202265 0.88 HSD17B10 (0.47) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL10284339 0.88 HSD17B10 (0.47) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL29299636 0.87 SIGMAR1 (0.38) SIGMAR1HSD17B10SLC6A9NPC1CHRM5
SCHEMBL9119001 0.86 HSD17B10 (0.48) SIGMAR1HSD17B10SLC6A9ALDH1A1GAA
SCHEMBL12018111 0.86 HSD17B10 (0.48) SIGMAR1HSD17B10SLC6A9ALDH1A1GAA

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-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2023-10-19 US disclosed
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-07-25 US disclosed
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-07-25 US disclosed
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 US disclosed
US-11147889-B2 Albumin-binding PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2021-10-19 US disclosed
US-20200061218-A1 Albumin-Binding PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 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 (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-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP SIGMAR1 4436/4885HSD17B10 3607/4885SLC6A9 4564/4885
US-11147889-B2 Albumin-binding PSMA inhibitors PSMA1, ALB, PSMA2 SIGMAR1 3315/4885HSD17B10 3053/4885SLC6A9 562/4885
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto FAP, APC, FIBP SIGMAR1 4436/4885HSD17B10 3607/4885SLC6A9 4564/4885
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 SIGMAR1 4808/4885HSD17B10 3449/4885SLC6A9 4366/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD SIGMAR1 3790/4885HSD17B10 2957/4885SLC6A9 705/4885
US-20200061218-A1 Albumin-Binding PSMA Inhibitors PSMA1, ALB, PSMA2 SIGMAR1 3315/4885HSD17B10 3053/4885SLC6A9 562/4885

“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.