SCHEMBL10293234

SCHEMBL10293234

CCNC1CCc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
GRIN2B Q13224 5/20 0.65
DRD2 P14416 4/20 0.63
DRD4 P21917 3/20 0.63
DRD3 P35462 3/20 0.63
MTNR1A P48039 4/20 0.59
MTNR1B P49286 4/20 0.59
SIGMAR1 Q99720 1/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL7383661 0.98 MAOA (0.66) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL4859978 0.86 GRIN2B (0.55) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL8393323 0.86 GRIN2B (0.67) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL31208094 0.86 GRIN2B (0.67) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL29588340 0.86 GRIN2B (0.67) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL2597220 0.86 GRIN2B (0.67) MAOAMAOBGRIN2BDRD2DRD4
SCHEMBL2598589 0.86 GRIN2B (0.67) MAOAMAOBGRIN2BDRD2DRD4
Hydrochloric Acid SCHEMBL7935272 0.84 GRIN2B (0.65) MAOAMAOBGRIN2BDRD2DRD4
Hydrochloric Acid SCHEMBL1026811 0.84 GRIN2B (0.53) MAOAMAOBGRIN2BDRD2DRD4
Benzene SCHEMBL27334501 0.82 GRIN2B (0.56) MAOAMAOBGRIN2BDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-4239903-A ANTISPASMODIC AGENTS DAIICHI SEIYAKU CO., LTD. (JP) 1980-12-16 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-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MAOA 1820/4885MAOB 2236/4885GRIN2B 234/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R MAOA 1229/4885MAOB 1382/4885GRIN2B 3350/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R MAOA 1229/4885MAOB 1382/4885GRIN2B 3350/4885

“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.