SCHEMBL12971973

SCHEMBL12971973

CC1CC1c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.42
KDM1A O60341 1/20 0.38
SLC6A2 P23975 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR2C P28335 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL12971883 0.84 KDM1A (0.44) PTGIRKDM1ASLC6A2HTR1ALMNA
Hydrochloric Acid SCHEMBL2776198 0.83 KDM1A (0.46) KDM1ASLC6A2HTR1ALMNASLC6A3
Hydrochloric Acid SCHEMBL2776199 0.83 KDM1A (0.46) KDM1ASLC6A2HTR1ALMNASLC6A3
SCHEMBL2778214 0.81 FFAR1 (0.48) SLC6A2TRPV1LMNAHTTMAPT
SCHEMBL2778217 0.81 FFAR1 (0.48) SLC6A2TRPV1LMNAHTTMAPT
SCHEMBL12976288 0.79 KDM1A (0.46) PTGIRKDM1ASLC6A2TRPV1HTR1A
SCHEMBL2271509 0.78 TSHR (0.52) PTGIRHTR1AHTR3ALMNAMAPT
SCHEMBL2774128 0.78 SLC6A2 (0.60) PTGIRSLC6A2TRPV1LMNAHTT
SCHEMBL2774127 0.78 SLC6A2 (0.60) PTGIRSLC6A2TRPV1LMNAHTT
SCHEMBL12976719 0.74 SLC6A2 (0.43) PTGIRSLC6A2TRPV1LMNAHTT

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-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE DUKE UNIVERSITY 2010-12-23 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-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT PTGIR 4048/4885KDM1A 14/4885SLC6A2 353/4885

“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.