SCHEMBL22221978

SCHEMBL22221978

NCCc1c(-c2ccc(-c3ccc(-c4[nH]c5ccccc5c4CCN)cc3)cc2)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.61
HTR2A P28223 9/20 0.55
HTR2C P28335 8/20 0.55
CNR1 P21554 1/20 0.53
DRD2 P14416 5/20 0.51
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4875370 0.93 HTR6 (0.70) HTR6HTR2AHTR2CCNR1DRD2
Hydrochloric Acid SCHEMBL5130227 0.91 HTR6 (0.68) HTR6HTR2AHTR2CCNR1DRD2
SCHEMBL14074161 0.90 HTR2A (0.63) HTR6HTR2AHTR2CCNR1DRD2
SCHEMBL22221974 0.89 HTR6 (0.55) HTR6HTR2AHTR2CCNR1DRD2
Cyanide SCHEMBL28580911 0.88 HTR6 (0.65) HTR6HTR2AHTR2CCNR1DRD2
SCHEMBL7613059 0.86 KDM4E (0.64) HTR6HTR2AHTR2CMAPTKDM4E
SCHEMBL7995810 0.82 GNRHR (0.54)
SCHEMBL2789743 0.80 HTR6 (0.71) HTR6HTR2AHTR2CCNR1DRD2
SCHEMBL7997254 0.80 HTR6 (0.53) HTR6MAPTKDM4EKMT2A
SCHEMBL6476562 0.79 HTR6 (0.55) HTR6HTR2AHTR2CCNR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-16 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 (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-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency G6PD, DPYD, G6PC1 HTR6 2080/4885HTR2A 2419/4885HTR2C 3437/4885

“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.