SCHEMBL1073471

SCHEMBL1073471

C1CCC(/N=C(/NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.97
CYP3A4 P08684 1/20 0.97
CYP2D6 P10635 1/20 0.97
THPO P40225 1/20 0.97
PMP22 Q01453 1/20 0.97
SIGMAR1 Q99720 3/20 0.54
EPHX2 P34913 8/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1149912 1.00 TSHR (0.97) TSHRCYP3A4CYP2D6THPOPMP22
SCHEMBL30038829 1.00 TSHR (0.97) TSHRCYP3A4CYP2D6THPOPMP22
Hydrochloric Acid SCHEMBL10619504 0.99 TSHR (1.00) TSHRCYP3A4CYP2D6THPOPMP22
Hydrochloric Acid SCHEMBL17978414 0.99 TSHR (1.00) TSHRCYP3A4CYP2D6THPOPMP22
Hydrochloric Acid SCHEMBL6368864 0.97 TSHR (0.93) TSHRCYP3A4CYP2D6THPOPMP22
SCHEMBL5280630 0.77 TSHR (0.61) TSHRCYP3A4CYP2D6THPOPMP22
SCHEMBL5280636 0.77 TSHR (0.61) TSHRCYP3A4CYP2D6THPOPMP22
Hydrochloric Acid SCHEMBL11706811 0.76 TSHR (0.64) TSHRCYP3A4CYP2D6THPOPMP22
Hydrochloric Acid SCHEMBL11706807 0.76 TSHR (0.64) TSHRCYP3A4CYP2D6THPOPMP22
SCHEMBL22402644 0.74 CYP3A4 (0.57) TSHRCYP3A4CYP2D6THPOPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 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 (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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 TSHR 1776/4885CYP3A4 2037/4885CYP2D6 3146/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME TSHR 1157/4885CYP3A4 3579/4885CYP2D6 3428/4885

“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.