SCHEMBL19999959

SCHEMBL19999959

CC(C)CCCNCCC#N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 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
SCHEMBL277921 0.81 LMNA (0.45) TSHRCYP1A2LMNA
SCHEMBL9768597 0.78 CYP2C19 (0.45) TSHRCYP1A2LMNA
SCHEMBL1273487 0.78 ALDH1A1 (0.41) TSHRCYP1A2LMNATHRB
SCHEMBL7795109 0.78 LMNA (0.43) TSHRCYP1A2LMNA
SCHEMBL127102 0.78
SCHEMBL15902303 0.78 LMNA (0.43) TSHRCYP1A2LMNA
SCHEMBL8090548 0.76 ALDH1A1 (0.39) TSHRCYP1A2LMNATHRB
SCHEMBL8011003 0.76 ALDH1A1 (0.39) TSHRCYP1A2LMNATHRB
SCHEMBL3954846 0.76 ALDH1A1 (0.39) TSHRCYP1A2LMNATHRB
Ammonia Solution, Strong SCHEMBL21462229 0.76 TSHR (0.48) TSHRCYP1A2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO claimed
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed
US-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP 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 (1 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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR TSHR 13/4885CYP1A2 4787/4885MAPK1 3338/4885

“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.