SCHEMBL21408970

SCHEMBL21408970

CC(C)(CC(N)C#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 2/20 0.40
KIF11 P52732 2/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3198382 0.82 TAAR1 (0.46) TAAR1CYP2D6CYP3A4KIF11DRD2
SCHEMBL10831632 0.76 TAAR1 (0.56) TAAR1KIF11
SCHEMBL4714860 0.73 TAAR1 (0.57) TAAR1KIF11MAPK1MAPTKMT2A
SCHEMBL27002642 0.72 ALDH1A1 (0.40) TAAR1CYP2D6CYP3A4KIF11DRD2
SCHEMBL6681969 0.71 TAAR1 (0.54) TAAR1CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL2396656 0.70 KIF11 (0.58) TAAR1KIF11
SCHEMBL2396652 0.70 KIF11 (0.58) TAAR1KIF11
SCHEMBL4673742 0.70 TAAR1 (0.52) TAAR1CYP2D6CYP3A4CYP2C19DRD2
SCHEMBL19342877 0.69 CYP2D6 (0.42) TAAR1CYP2D6CYP3A4CYP2C19DRD2
SCHEMBL4399836 0.68 TAAR1 (0.50) TAAR1CYP2D6CYP3A4CYP2C19DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 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 (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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 TAAR1 4644/4885CYP2D6 902/4885CYP3A4 248/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 TAAR1 4644/4885CYP2D6 902/4885CYP3A4 248/4885

“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.