SCHEMBL3760581

SCHEMBL3760581

c1ccc(CCNC2CCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.75
GRIN2B Q13224 9/20 0.71
SIGMAR1 Q99720 3/20 0.57
GRIN1 Q05586 1/20 0.57
OPRM1 P35372 1/20 0.56
OPRL1 P41146 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3907332 0.96 TAAR1 (0.81) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL3665298 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL22216853 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL21792273 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL25002632 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL24767088 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL1240954 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL24075499 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL5332051 0.94 TAAR1 (0.84) TAAR1GRIN2BSIGMAR1GRIN1OPRM1
SCHEMBL662411 0.92 GRIN2B (0.76) TAAR1GRIN2BSIGMAR1GRIN1OPRM1

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
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
US-8759584-B2 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2070934-A1 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates Bayer CropScience AG (DE) 2009-06-17 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-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 TAAR1 43/4885GRIN2B 1261/4885SIGMAR1 1674/4885

“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.