SCHEMBL18650239

SCHEMBL18650239

NC(C(=O)O)C12CC(C1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.52
GRM5 P41594 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM4 Q14833 1/20 0.40
DPP4 P27487 6/20 0.40
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
FAP Q12884 1/20 0.37
PITRM1 Q5JRX3 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SLC22A2 O15244 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36

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
Hydrochloric Acid SCHEMBL18631597 0.98 GRM1 (0.50) GRM1GRM5GRM2GRM4DPP4
Hydrochloric Acid SCHEMBL18631596 0.95 GRM1 (0.48) GRM1GRM5GRM2GRM4DPP4
SCHEMBL6739912 0.91 DPP4 (0.49) GRM1DPP4ALDH1A1ALOX15FAP
SCHEMBL255570 0.91 DPP4 (0.49) GRM1DPP4ALDH1A1ALOX15FAP
SCHEMBL23460047 0.91 DPP4 (0.49) GRM1DPP4ALDH1A1ALOX15FAP
Hydrochloric Acid SCHEMBL28561376 0.89 ALDH1A1 (0.50) GRM1DPP4ALDH1A1ALOX15FAP
Hydrochloric Acid SCHEMBL28561377 0.89 ALDH1A1 (0.50) GRM1DPP4ALDH1A1ALOX15FAP
SCHEMBL5988117 0.82 GRM1 (0.45) GRM1GRM5GRM2GRM4DPP4
SCHEMBL13334525 0.82 DPP4 (0.59) GRM1DPP4FAPPITRM1DPP8
Hydrochloric Acid SCHEMBL5987774 0.81 GRM1 (0.44) GRM1GRM5GRM2GRM4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-3114107-B1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS LLC (US) 2020-07-22 EP disclosed
US-10654812-B2 Propellane derivates and synthesis RECURIUM IP HOLDINGS LLC (US) 2020-05-19 US disclosed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 US disclosed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 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 (3 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-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS PDHA1, PDHA2, DHPS GRM1 407/4885GRM5 1253/4885GRM2 1638/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GRM1 1780/4885GRM5 2516/4885GRM2 2853/4885
US-10654812-B2 Propellane derivates and synthesis PDHA1, PDHA2, DHPS GRM1 407/4885GRM5 1253/4885GRM2 1638/4885

“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.