SCHEMBL3376121

SCHEMBL3376121

CCCN(CCC)[C]1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL28655068 0.97 CYP2D6 (0.31) SMN1; SMN2MAPTRAB9AALDH1A1HRH3
SCHEMBL11073647 0.97 CYP2D6 (0.31) SMN1; SMN2MAPTRAB9AALDH1A1HRH3
SCHEMBL3377431 0.91 MAPT (0.31) MAPT
SCHEMBL3373140 0.90
SCHEMBL3376546 0.88 MAPT (0.33) SMN1; SMN2MAPT
SCHEMBL3372778 0.84 MAPT (0.32) SMN1; SMN2MAPTHTT
SCHEMBL3374354 0.79 HTT (0.30) SMN1; SMN2HTT
SCHEMBL3370176 0.78
SCHEMBL1826587 0.77 KDM4E (0.33) ALDH1A1
SCHEMBL3376641 0.76 TSHR (0.47) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN claimed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 CN claimed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 CN disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SMN1; SMN2 1596/4885MAPT 2810/4885RAB9A 3319/4885

“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.