SCHEMBL17749256

SCHEMBL17749256

C=CC1CC[C@@H](C(=O)O)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.46
▸ CYP2C19 P33261 4/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.30
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 1/20 0.30

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
SCHEMBL17749257 1.00 DPP4 (0.46) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL15635036 1.00 DPP4 (0.46) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL21295300 1.00 DPP4 (0.46) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL17749319 1.00 DPP4 (0.46) DPP4CYP2C19CYP2D6LMNABLM
Hydrochloric Acid SCHEMBL25410714 0.98 DPP4 (0.45) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL15268220 0.83 DPP4 (0.48) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL17460897 0.81 DPP4 (0.45) DPP4
SCHEMBL17460898 0.81 DPP4 (0.45) DPP4
SCHEMBL14672272 0.80 CYP2C19 (0.44) DPP4CYP2C19CYP2D6LMNABLM
SCHEMBL31435479 0.76 DPP4 (0.42) DPP4KMT2A

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-20170348266-A1 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING 2017-12-07 — — US claimed
WO-2016077632-A2 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2016-05-19 — — WO claimed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — US disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 — — US disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 — — US disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — WO disclosed
US-20170348266-A1 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING 2017-12-07 — — US disclosed
WO-2016077632-A2 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2016-05-19 — — WO 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 (4 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-20170348266-A1 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS GLUL, GLS2, PHGDH DPP4 462/4885CYP2C19 1521/4885CYP2D6 1097/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 DPP4 109/4885CYP2C19 4587/4885CYP2D6 4444/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 DPP4 109/4885CYP2C19 4587/4885CYP2D6 4444/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 DPP4 109/4885CYP2C19 4587/4885CYP2D6 4444/4885

“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.

Send feedback