SCHEMBL29327481

SCHEMBL29327481

CN(C)CCCc1cccc(Br)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.79
SIGMAR1 Q99720 2/20 0.52
HTR6 P50406 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PYCR1 P32322 1/20 0.46

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
SCHEMBL552436 0.89 TAAR1 (1.00) TAAR1SIGMAR1PYCR1
Hydrochloric Acid SCHEMBL7966176 0.87 TAAR1 (0.96) TAAR1SIGMAR1PYCR1
SCHEMBL18762842 0.86 SIGMAR1 (0.61) TAAR1SIGMAR1NOS3NOS1
SCHEMBL5240585 0.82 TAAR1 (0.68) TAAR1SIGMAR1
SCHEMBL9670825 0.80 SIGMAR1 (0.70) TAAR1SIGMAR1NOS3NOS1
SCHEMBL19524669 0.80 TAAR1 (0.65) TAAR1SIGMAR1
SCHEMBL15564078 0.79 NOS3 (0.56) TAAR1SIGMAR1NOS3NOS1
SCHEMBL417687 0.79 TAAR1 (0.59) TAAR1SIGMAR1
SCHEMBL11300491 0.78 TAAR1 (0.79) TAAR1SIGMAR1NOS3NOS1PYCR1
SCHEMBL5336469 0.78 DRD2 (0.57) TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP 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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR6 1081/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 TAAR1 295/4885SIGMAR1 28/4885HTR6 289/4885

“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.