SCHEMBL21993489

SCHEMBL21993489

CCC1CCCCN1CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.40
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.36
TERT O14746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
SCHEMBL28283697 0.94 ATM (0.40) ATMMAPK1CRHBPCRHR2ALDH1A1
SCHEMBL14922679 0.94 ATM (0.40) ATMMAPK1CRHBPCRHR2ALDH1A1
SCHEMBL27801109 0.81 SLC6A4 (0.40) ATMMAPK1CRHBPCRHR2ALDH1A1
SCHEMBL12590310 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TERT
Hydrochloric Acid SCHEMBL31609046 0.79 HTT (0.33) ATM
SCHEMBL28858890 0.78 ALDH1A1 (0.34) MAPK1ALDH1A1
SCHEMBL3265294 0.77 MAPK1 (0.45) ATMMAPK1CRHBPCRHR2ALDH1A1
SCHEMBL12648919 0.76 ALDH1A1 (0.42) CRHBPCRHR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL22142118 0.76 ALDH1A1 (0.42) CRHBPCRHR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28836640 0.76 MAPK1 (0.42) ATMMAPK1CRHBPCRHR2ALDH1A1

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-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
CN-107949558-A Muscarinic agonists 赫普泰雅治疗有限公司 2018-04-20 CN 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-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 ATM 3967/4885MAPK1 1401/4885CRHBP 2389/4885

“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.