SCHEMBL21370150

SCHEMBL21370150

CCC(CC)N1CCC2(CC1)CNC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL20160476 0.89 TSHR (0.34) TSHR
SCHEMBL2693754 0.86 TSHR (0.50) TSHRALDH1A1USP2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2126410 0.85 TSHR (0.53) TSHRALDH1A1USP2CYP3A4CYP2D6
SCHEMBL20153271 0.84 TSHR (0.36) TSHR
SCHEMBL18559577 0.82 TSHR (0.37) TSHRALDH1A1USP2CYP3A4CYP2D6
SCHEMBL30842407 0.79 USP2 (0.31) TSHRALDH1A1USP2CYP3A4CYP2D6
SCHEMBL21163920 0.78 OPRM1 (0.35) TSHR
SCHEMBL20676135 0.78 OPRM1 (0.35) TSHR
SCHEMBL21370481 0.78 OPRM1 (0.35) TSHR
SCHEMBL21160923 0.78 OPRM1 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS BP ASSET V, INC. (US) 2023-05-18 US disclosed
US-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20190284172-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2019-09-19 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-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS FURIN, ACE, ACE2 TSHR 4240/4885ALDH1A1 4423/4885USP2 1036/4885
US-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 TSHR 857/4885ALDH1A1 1432/4885USP2 393/4885
US-20190284172-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 TSHR 857/4885ALDH1A1 1432/4885USP2 393/4885

“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.