SCHEMBL30167657

SCHEMBL30167657

CCCOc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
KMT2A Q03164 2/20 0.56
DRD3 P35462 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.54
ACHE P22303 1/20 0.54
F2 P00734 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL129750 1.00 DRD2 (0.57) DRD2DRD4KMT2ADRD3TDP1
Ammonia Solution, Strong SCHEMBL9124747 0.98 DRD2 (0.56) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL3894255 0.90 DRD2 (0.63) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL29381067 0.89 DRD2 (0.62) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL27465 0.89 DRD2 (0.62) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL23267298 0.89 MAPK1 (0.61) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL12206636 0.89 MAPK1 (0.61) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL17214432 0.89 MAPK1 (0.61) DRD2DRD4KMT2ADRD3TDP1
SCHEMBL12301114 0.88 TSHR (0.64) DRD2DRD4DRD3TDP1L3MBTL1
SCHEMBL11674802 0.87 DRD2 (0.66) DRD2DRD4KMT2ADRD3TDP1

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-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT DRD2 2763/4885DRD4 2265/4885KMT2A 912/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 DRD2 2671/4885DRD4 2280/4885KMT2A 908/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 DRD2 2745/4885DRD4 2506/4885KMT2A 1615/4885

“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.