SCHEMBL23854640

SCHEMBL23854640

CN(CCC#N)C(=O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
GAA P10253 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
NSD2 O96028 1/20 0.57
ALDH1A1 P00352 7/20 0.52
MCHR1 Q99705 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MLYCD O95822 3/20 0.49
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
NR3C2 P08235 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3244975 0.84 ALDH1A1 (0.52) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL4351971 0.83 ALDH1A1 (0.52) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL2901805 0.83 ALDH1A1 (0.51) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL22858927 0.81 ALDH1A1 (0.50) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL15218736 0.80 MCHR1 (0.56) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL28283417 0.80 MCHR1 (0.56) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL19997023 0.77 HTR7 (0.54) GAACYP2D6CYP2C9NSD2ALDH1A1
SCHEMBL23854639 0.77 POLB (0.52) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL12218589 0.76 ALDH1A1 (0.48) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL15218743 0.75 NSD2 (0.54) CYP1A2CYP2C19NSD2ALDH1A1MCHR1

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL CYP1A2 951/4885CYP3A4 1012/4885GAA 1878/4885

“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.