SCHEMBL7966471

SCHEMBL7966471

CNCC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ACACB O00763 3/20 0.43
GRIA4 P48058 3/20 0.41
REN P00797 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.36
COPS5 Q92905 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL19026636 0.84 TP53 (0.50) TP53TSHREBPSIGMAR1ACACB
SCHEMBL2367040 0.81 TP53 (0.47) TP53TSHREBPSIGMAR1ACACB
SCHEMBL7969008 0.80 TP53 (0.50) TP53TSHREBPSIGMAR1ACACB
SCHEMBL7965870 0.77 REN (0.51) TP53TSHREBPSIGMAR1ACACB
SCHEMBL23986713 0.77 TAAR1 (0.59) TP53TSHRSIGMAR1ACACB
SCHEMBL7969024 0.77 CYP3A4 (0.42) ACACBKCNH2
SCHEMBL9883275 0.77 SLC6A2 (0.53) ACACB
SCHEMBL9296848 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL10667108 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL8678455 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS UNIV DREXEL (US) 2020-03-19 US disclosed
WO-2017106312-A1 METHODS OF MODULATING LEVELS OF IL-6 AND PD-L1 DREXEL UNIVERSITY (US) 2017-06-22 WO disclosed
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME Philadelphia Health And Education Corporation, d/b/a Drexel University College of Medicine 2016-12-15 US disclosed
US-9388126-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2016-07-12 US disclosed
US-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME DREXEL UNIVERSITY 2015-06-18 US disclosed
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed
US-4914133-A CONTROLLING PHYTOPATHOGENS BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0288850-A1 Amino compounds and fungicides containing them BASF Aktiengesellschaft (DE) 1988-11-02 EP 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 (3 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-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 TP53 3084/4885TSHR 1366/4885EBP 650/4885
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS SIGMAR1, TMEM97, OPRK1 TP53 1713/4885TSHR 1278/4885EBP 980/4885
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 TP53 3113/4885TSHR 1404/4885EBP 632/4885

“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.