SCHEMBL5712005

SCHEMBL5712005

CC[C@@H](N)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.56
EPHX1 P07099 3/20 0.44
DPP4 P27487 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2257328 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL25949959 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL5908926 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL23842922 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL29008423 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL23685673 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL6848858 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL20302411 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Ammonia Solution, Strong SCHEMBL1560591 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL1356288 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E

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-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2021-06-24 US disclosed
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 US disclosed
WO-2019156929-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2019-08-15 WO disclosed
WO-2018118705-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-28 WO disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 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 (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-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 SHBG 660/4885EPHX1 818/4885DPP4 578/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 SHBG 660/4885EPHX1 818/4885DPP4 578/4885
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 SHBG 660/4885EPHX1 818/4885DPP4 578/4885

“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.