SCHEMBL24253768

SCHEMBL24253768

O=C1OC(O)CC2(CCNCC2)N1c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
HTR6 P50406 1/20 0.34
TSHR P16473 1/20 0.33
PARP1 P09874 3/20 0.33
CALML3 P27482 4/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MMP13 P45452 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
F10 P00742 1/20 0.31
BPTF Q12830 1/20 0.31
ROCK2 O75116 1/20 0.31
POLB P06746 1/20 0.30
MAOA P21397 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL24253711 0.80 TSHR (0.39) HSD11B1TSHRRAF1BRAFMMP13
SCHEMBL30423977 0.80 TSHR (0.39) HSD11B1TSHRRAF1BRAFMMP13
Hydrochloric Acid SCHEMBL30494641 0.79 TSHR (0.38) HSD11B1TSHRRAF1BRAFMMP13
SCHEMBL24253589 0.78 RAF1 (0.34) HTR6TSHRPARP1RAF1BRAF
SCHEMBL24253912 0.76 BPTF (0.37) TSHRRAF1BRAFMMP13ADAMTS5
SCHEMBL24253710 0.71 HTR1A (0.36) HTR6TSHRRAF1BRAFMMP13
Hydrochloric Acid SCHEMBL30494599 0.70 HTR1A (0.36) TSHRRAF1BRAFMMP13BPTF
SCHEMBL26307736 0.70 CCR1 (0.33) TSHRADAMTS5ROCK2
SCHEMBL24253590 0.70 MMP2 (0.33) MMP13ADAMTS5F10
SCHEMBL26307724 0.68 RAD51 (0.39) ADAMTS5

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-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 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-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 HSD11B1 79/4885HTR6 1465/4885TSHR 904/4885

“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.