SCHEMBL21082154

SCHEMBL21082154

CC(C)N1Cc2ccccc2-c2c(nnn2C(C)(C)C)-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 4/20 0.32
TP53 P04637 2/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP3K5 Q99683 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20991255 0.95 TSHR (0.34) NPSR1GAATSHRTP53GRM5
SCHEMBL24974795 0.89 MAP3K5 (0.32) NPSR1GAATSHRTP53USP2
SCHEMBL17992585 0.85 MAP3K5 (0.37) NPSR1TSHRGRM5GRM1MEN1
SCHEMBL20807653 0.84 TSHR (0.32) NPSR1GAATSHRTP53KDM4E
SCHEMBL16980276 0.84 SMN1; SMN2 (0.32) NPSR1GAATSHRTP53MEN1
SCHEMBL19170430 0.84 GRM5 (0.34) NPSR1TSHRGRM5GRM1MAP3K5
SCHEMBL26229453 0.84 GRM5 (0.34) GRM5GRM1MAP3K5POLBKDM4E
SCHEMBL20999002 0.82 GRM5 (0.33) GRM5GRM1CYP3A4CYP2C9MAP3K5
SCHEMBL21189504 0.82 NPSR1 (0.32) NPSR1GAATSHRTP53USP2
SCHEMBL20215050 0.81 NOTUM (0.33) NPSR1TSHRKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-10633374-B2 Small molecule based antibody-recruiting compounds for cancer treatment YALE UNIVERSITY (US) 2020-04-28 US disclosed
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
US-10316037-B1 Compounds and methods for treating cancer YALE UNIVERSITY (US) 2019-06-11 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 (4 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-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B NPSR1 518/4885GAA 553/4885TSHR 1233/4885
US-10316037-B1 Compounds and methods for treating cancer ABCC1, PLK1, HDAC6 NPSR1 3209/4885GAA 529/4885TSHR 4811/4885
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL NPSR1 189/4885GAA 1878/4885TSHR 1762/4885
US-10633374-B2 Small molecule based antibody-recruiting compounds for cancer treatment PLAUR, C5AR1, C3AR1 NPSR1 2793/4885GAA 2200/4885TSHR 1815/4885

“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.