SCHEMBL17993834

SCHEMBL17993834

CC(C)N1CCc2cc(C(F)(F)F)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ACACB O00763 1/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ DPP7 Q9UHL4 2/20 0.43
▸ PHGDH O43175 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ MOGAT2 Q3SYC2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL10057662 0.94 TMEM97 (0.47) TMEM97SIGMAR1ACACBNOTUMKCNH2
SCHEMBL13938028 0.87 TMEM97 (0.54) TMEM97SIGMAR1ACACBNOTUMKCNH2
SCHEMBL23594623 0.86 HRH3 (0.40) TMEM97SIGMAR1ACACBHRH3MOGAT2
SCHEMBL21465992 0.81 HRH3 (0.43) TMEM97SIGMAR1ACACBHRH3MOGAT2
SCHEMBL24478509 0.79 HRH3 (0.46) TMEM97SIGMAR1HRH3MOGAT2ALDH1A1
SCHEMBL7894841 0.79 KCNH2 (0.50) TMEM97SIGMAR1NOTUMKCNH2DPP7
SCHEMBL12968836 0.79 MAOA (0.53) ACACBNOTUMPHGDHDRD3
SCHEMBL16624096 0.78 ACACB (0.49) ACACBKCNH2HRH3DRD3
SCHEMBL20178647 0.78 TMEM97 (0.52) TMEM97SIGMAR1ACACBNOTUMKCNH2
SCHEMBL16624027 0.77 HRH3 (0.54) ACACBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 — — US disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 — — US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 — — 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 (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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 TMEM97 2609/4885SIGMAR1 3175/4885ACACB 907/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 TMEM97 2609/4885SIGMAR1 3175/4885ACACB 907/4885

“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.

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