SCHEMBL30288253

SCHEMBL30288253

CC(C)(CO)c1cccc(CCN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.59
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
NOS1 P29475 1/20 0.46
KIF11 P52732 2/20 0.42
HTR7 P34969 1/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 2/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
LMNA P02545 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
SCHEMBL1908507 0.86 ENPP2 (0.47) TAAR1NOS1KIF11MAOBHTR2C
SCHEMBL24351980 0.84 TAAR1 (0.61) TAAR1DRD2DRD1NOS1KIF11
SCHEMBL2911870 0.82 TAAR1 (0.67) TAAR1DRD2DRD1NOS1KIF11
SCHEMBL1908555 0.82 KIF11 (0.44) TAAR1KIF11HTR2CCYP2A6HTR2A
Hydrochloric Acid SCHEMBL14157546 0.80 TAAR1 (0.65) TAAR1DRD2DRD1NOS1KIF11
SCHEMBL4449174 0.80 TAAR1 (0.70) TAAR1DRD2DRD1NOS1KIF11
SCHEMBL15045357 0.79 CNR1 (0.47) TAAR1MAPK1ACHESMN1; SMN2CYP1A2
SCHEMBL21177003 0.79 CYP1A2 (0.37) TAAR1CYP1A2CYP2C19
SCHEMBL15504962 0.79 MEN1 (0.40) TAAR1KIF11TSHRHTR2CACHE
SCHEMBL18434546 0.79 TAAR1 (0.73) TAAR1DRD2DRD1NOS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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 (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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT TAAR1 3524/4885DRD2 4742/4885DRD1 4793/4885

“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.