SCHEMBL24433683

SCHEMBL24433683

CN(C)c1nnc(N(C)CCc2ccc3c(c2)OCO3)n1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
LTB4R Q15722 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14868830 0.88 LTB4R (0.48) SIGMAR1TAAR1HTR2AHTR2CHTR2B
SCHEMBL24433824 0.87 LTB4R (0.43) TAAR1LTB4RKDM4EMEN1MAPT
SCHEMBL14868828 0.81 BCDIN3D (0.44) TAAR1LTB4RKDM4EKMT2ASMN1; SMN2
SCHEMBL14868824 0.77 SMN1; SMN2 (0.53) KDM4EMAPTTSHRKMT2AHSD17B10
SCHEMBL14868900 0.76 TAAR1 (0.46) SIGMAR1TAAR1HTR2AHTR2CHTR2B
SCHEMBL14869028 0.75 LTB4R (0.50) TAAR1LTB4RKDM4EMEN1MAPT
SCHEMBL30101707 0.75 TAAR1 (0.61) SIGMAR1TAAR1HTR2AHTR2CHTR2B
SCHEMBL25519810 0.75 TAAR1 (0.61) SIGMAR1TAAR1HTR2AHTR2CHTR2B
SCHEMBL14869941 0.74 SIGMAR1 (0.45) SIGMAR1TAAR1HTR2AHTR2CHTR2B
SCHEMBL20799929 0.73 LTB4R (0.43) TAAR1LTB4RKDM4EMEN1MAPT

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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 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 (2 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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 SIGMAR1 3853/4885TAAR1 2974/4885HTR2A 1037/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 SIGMAR1 3853/4885TAAR1 2974/4885HTR2A 1037/4885

“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.