SCHEMBL17095965

SCHEMBL17095965

CC(C)(C)N(C(=O)O)C1CCN(CCF)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.39
CCR5 P51681 3/20 0.36
TMEM97 Q5BJF2 2/20 0.36
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
KCNH2 Q12809 2/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB1 P08183 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
DRD4 P21917 1/20 0.33
MAOB P27338 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 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
SCHEMBL3888064 0.88 GNAI3 (0.38) OPRM1CCR5KCNH2SLC22A1NR1I2
SCHEMBL707384 0.86 SLC18A3 (0.38) OPRM1CCR5TMEM97KCNH2SLC22A1
SCHEMBL3839394 0.84 TP53 (0.37) OPRM1CCR5UBE2MDCUN1D1KCNH2
SCHEMBL26619784 0.82 OPRM1 (0.41) OPRM1CCR5UBE2MDCUN1D1SIGMAR1
SCHEMBL26619779 0.82 OPRM1 (0.41) OPRM1CCR5UBE2MDCUN1D1SIGMAR1
SCHEMBL1305394 0.82 SMN1; SMN2 (0.44) OPRM1CHRM3SIGMAR1
SCHEMBL17095677 0.81 OPRM1 (0.40) OPRM1CCR5UBE2MDCUN1D1KCNH2
SCHEMBL2002141 0.81 ALDH1A1 (0.42) OPRM1CCR5
SCHEMBL1305914 0.80 KDM4E (0.36) CHRM1CHRM3
SCHEMBL28851436 0.79 UBE2M (0.38) UBE2MDCUN1D1DRD2HRH1SIGMAR1

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-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 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-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 OPRM1 4098/4885CCR5 2177/4885TMEM97 2802/4885

“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.