SCHEMBL22386740

SCHEMBL22386740

CC(C)(C)Cc1cccc(CCN)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 8/20 0.57
▸ DRD2 P14416 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ NOS1 P29475 2/20 0.47
▸ HTR2A P28223 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ CYP19A1 P11511 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KIF11 P52732 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
SCHEMBL3195964 0.83 PNMT (0.48) TAAR1NOS1SMN1; SMN2LOXL2NOS3
SCHEMBL659100 0.82 TAAR1 (0.70) TAAR1DRD2DRD1NOS1HTR2A
SCHEMBL3057497 0.81 TAAR1 (0.63) TAAR1DRD2DRD1NOS1HTR2A
Hydrochloric Acid SCHEMBL3957562 0.80 TAAR1 (0.67) TAAR1DRD2DRD1NOS1HTR2A
SCHEMBL19852857 0.79 TAAR1 (0.56) TAAR1NOS1HTR2ACYP2A6SMN1; SMN2
SCHEMBL3059058 0.78 TAAR1 (0.59) TAAR1DRD2DRD1NOS1HTR2A
SCHEMBL1691673 0.77 MAOB (0.54) TAAR1CYP19A1
SCHEMBL44414 0.77 TAAR1 (0.63) TAAR1DRD2DRD1NOS1HTR2A
SCHEMBL2642524 0.76 TAAR1 (0.61) TAAR1DRD2DRD1NOS1HTR2A
SCHEMBL20348678 0.76 HTR2A (0.68) TAAR1DRD2DRD1NOS1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 — — US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 — — 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-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 TAAR1 4438/4885DRD2 2935/4885DRD1 3043/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 TAAR1 4438/4885DRD2 2935/4885DRD1 3043/4885

“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.

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