SCHEMBL18970901

SCHEMBL18970901

N[C@@H]1[C@@H]2CC[C@H]1CN(c1ccnc(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
CYP17A1 P05093 4/20 0.36
CHRNB2 P17787 4/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL18952559 1.00 CHRM4 (0.38) CHRM4CYP17A1CHRNB2CHRNA3CHRNA4
SCHEMBL20609193 1.00 CHRM4 (0.38) CHRM4CYP17A1CHRNB2CHRNA3CHRNA4
SCHEMBL20609194 1.00 CHRM4 (0.38) CHRM4CYP17A1CHRNB2CHRNA3CHRNA4
SCHEMBL20031740 1.00 CHRM4 (0.38) CHRM4CYP17A1CHRNB2CHRNA3CHRNA4
SCHEMBL20159656 0.92 CHRNA3 (0.39) CHRM4CYP17A1CHRNB2CHRNA3CHRNA4
SCHEMBL18970981 0.79 PSEN1 (0.46) CHRM4CYP17A1LOXLOXL2
SCHEMBL21356458 0.79 PSEN1 (0.46) CHRM4CYP17A1LOXLOXL2
SCHEMBL18952617 0.79 PSEN1 (0.46) CHRM4CYP17A1LOXLOXL2
SCHEMBL21108536 0.79 PSEN1 (0.46) CHRM4CYP17A1LOXLOXL2
SCHEMBL18952615 0.79 PSEN1 (0.46) CHRM4CYP17A1LOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
EP-3519418-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-08 EP disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
CN-109790181-B Bridged piperidine derivatives 豪夫迈·罗氏有限公司 2021-05-28 CN disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10899766-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-01-26 US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-20200031831-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-01-30 US disclosed
US-20200031831-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-01-30 US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 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 (9 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP CHRM4 4265/4885CYP17A1 2434/4885CHRNB2 662/4885
US-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR CHRM4 1977/4885CYP17A1 3159/4885CHRNB2 434/4885
US-20200031831-A1 BRIDGED PIPERIDINE DERIVATIVES PSEN1, APP, PRNP CHRM4 2106/4885CYP17A1 3524/4885CHRNB2 932/4885
US-10899766-B2 Bridged piperidine derivatives PSEN1, APP, PRNP CHRM4 2106/4885CYP17A1 3524/4885CHRNB2 932/4885
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 CHRM4 2582/4885CYP17A1 3273/4885CHRNB2 666/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 CHRM4 2582/4885CYP17A1 3273/4885CHRNB2 666/4885
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 CHRM4 2582/4885CYP17A1 3273/4885CHRNB2 666/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 CHRM4 3836/4885CYP17A1 2274/4885CHRNB2 705/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR CHRM4 1977/4885CYP17A1 3159/4885CHRNB2 434/4885

“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.