SCHEMBL8090972

SCHEMBL8090972

CC(C)NCCc1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
CYP1A2 P05177 2/20 0.50
CES2 O00748 1/20 0.50
CYP2A6 P11509 1/20 0.50
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
BCHE P06276 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
SCHEMBL15981454 0.83 LMNA (0.49) SIGMAR1HTR2ACYP1A2CES2CYP2D6
SCHEMBL15980804 0.82 SMN1; SMN2 (0.51) SIGMAR1CYP1A2CYP2A6
SCHEMBL8852234 0.81 HTR2A (0.55) SIGMAR1HTR2AHTR2CHTR2BCYP1A2
Hydrochloric Acid SCHEMBL11279316 0.81 LMNA (0.50) SIGMAR1HTR2ACYP1A2CYP2D6TSHR
Bromide SCHEMBL11285071 0.81 SIGMAR1 (0.48) SIGMAR1HTR2ACYP1A2CES2CYP2D6
SCHEMBL15980805 0.81 SMN1; SMN2 (0.54) CYP1A2CYP2A6
SCHEMBL25455304 0.80 SIGMAR1 (0.56) SIGMAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL1680520 0.79 TAAR1 (0.57) SIGMAR1CYP1A2CYP2A6TSHRHIF1A
SCHEMBL23330227 0.79 SIGMAR1 (0.51) SIGMAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL15981480 0.79 CA1 (0.43) SIGMAR1HTR2ACYP1A2CES2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE SIGMAR1 4015/4885HTR2A 2622/4885HTR2C 3600/4885

“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.