SCHEMBL21882019

SCHEMBL21882019

c1ccc(CCNN2CCN(NCCc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ATM Q13315 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
IDO1 P14902 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL7375501 0.92 SIGMAR1 (0.56) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL7327938 0.90 SIGMAR1 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL22485461 0.77 LTA4H (0.49) SIGMAR1
SCHEMBL10726346 0.77 IDO1 (0.46) SIGMAR1KDM1AALDH1A1CYP3A4IDO1
SCHEMBL283735 0.71 SIGMAR1 (0.81) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL10395199 0.71 SMN1; SMN2 (0.64) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL2255128 0.70 DPP7 (0.52) SIGMAR1ALDH1A1CYP3A4IDO1MAPT
SCHEMBL8647480 0.70 DPP7 (0.47) SIGMAR1KDM1AALDH1A1CYP3A4IDO1
SCHEMBL2538819 0.69 ALDH1A1 (0.61) SIGMAR1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL1231267 0.69 L3MBTL1 (0.62) SIGMAR1NPC1RAB9ASMN1; SMN2ATM

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 SIGMAR1 1918/4885NPC1 2384/4885RAB9A 3893/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 SIGMAR1 1918/4885NPC1 2384/4885RAB9A 3893/4885

“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.