SCHEMBL21882079

SCHEMBL21882079

O=C(NN1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.47
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR6 P46095 1/20 0.46
CHRNA7 P36544 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL21819605 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAPKMMEN1
SCHEMBL21882029 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAPKMCHRM3
SCHEMBL1721295 0.83 CYP2D6 (0.67) SMN1; SMN2MEN1KMT2AHTTCYP2D6
SCHEMBL27606796 0.83 HTT (0.47) SMN1; SMN2ALDH1A1KMT2AHTTCYP2D6
SCHEMBL717372 0.83 HTT (0.69) SMN1; SMN2ALDH1A1HTTCYP2D6SIGMAR1
Bromide SCHEMBL7777483 0.82 CYP2D6 (0.65) SMN1; SMN2MEN1KMT2AHTTCYP2D6
Hydrochloric Acid SCHEMBL6578952 0.81 GAA (0.47) SMN1; SMN2PKMHTTCYP2D6
SCHEMBL941910 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAPKMMEN1
SCHEMBL28789371 0.80 PLK1 (0.51) SMN1; SMN2ALDH1A1PKMHTTCYP2D6
SCHEMBL21882372 0.78 CNR1 (0.48) SMN1; SMN2

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-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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 (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-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 SMN1; SMN2 3465/4885ALDH1A1 4073/4885LMNA 4459/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 SMN1; SMN2 3465/4885ALDH1A1 4073/4885LMNA 4459/4885

“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.