SCHEMBL21119348

SCHEMBL21119348

NC(=O)CC1(N)CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CYP2C19 P33261 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 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
SCHEMBL2061168 1.00 TSHR (0.40) TSHRALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL24012349 1.00 TSHR (0.40) TSHRALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL2790764 0.97 TSHR (0.37) TSHRALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL15774512 0.92
SCHEMBL14152208 0.87
SCHEMBL20198601 0.80 TSHR (0.56) TSHRALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL20104809 0.80 TSHR (0.56) TSHRALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL21119408 0.80
SCHEMBL498155 0.80 TSHR (0.56) TSHRALDH1A1SMN1; SMN2USP2LMNA
Hydrochloric Acid SCHEMBL7609840 0.78 TSHR (0.54) TSHRALDH1A1SMN1; SMN2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-07-04 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 (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-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 TSHR 1454/4885ALDH1A1 271/4885SMN1; SMN2 1713/4885

“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.