SCHEMBL25907988

SCHEMBL25907988

C[C@H]1CC[C@H](c2ccc(Br)cc2)NC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 5/20 0.34
KCNH2 Q12809 2/20 0.34
MAOB P27338 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
KDM1B Q8NB78 1/20 0.34
CYP2D6 P10635 1/20 0.33
ESR2 Q92731 1/20 0.32

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
SCHEMBL29081300 1.00 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19LMNATSHR
SCHEMBL29081302 1.00 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19LMNATSHR
SCHEMBL14963942 0.83 MAPT (0.39) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL24233794 0.83 MAPT (0.39) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL25321512 0.83 MAPT (0.39) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL25334787 0.82 CYP2A6 (0.34)
SCHEMBL24363974 0.81 KCNH2 (0.37) TSHRTDP1KDM1AKCNH2ESR2
SCHEMBL24233839 0.81 DRD2 (0.36) ALDH1A1ESR2
SCHEMBL24363851 0.81 KCNH2 (0.37) TSHRTDP1KDM1AKCNH2ESR2
SCHEMBL31145247 0.81 ESR2 (0.53) CYP3A4CYP2C9CYP2C19MAPTALDH1A1

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-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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO 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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CYP3A4 63/4885CYP2C9 10/4885CYP2C19 20/4885

“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.