SCHEMBL13841172

SCHEMBL13841172

CC(C)(C)N1CCCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.55
▸ CHRNA7 P36544 4/20 0.51
▸ CHRNB2 P17787 4/20 0.51
▸ CHRNA4 P43681 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CHRNB4 P30926 2/20 0.51
▸ CHRNA3 P32297 2/20 0.51
▸ CHRNA2 Q15822 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ PSIP1 O75475 1/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ CHRNA1 P02708 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ PTGS1 P23219 1/20 0.51

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
SCHEMBL14805866 0.91 CYP11B2 (0.50) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL12026514 0.85 CYP11B2 (0.51) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL21341819 0.82 TP53 (0.41) ALDH1A1LMNAHSD11B1SPR
SCHEMBL13841158 0.82 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL12363955 0.82 DRD2 (0.55) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL17518822 0.81 CYP11B2 (0.60) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL17774405 0.81 CYP11B2 (0.53) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL25766040 0.80 CYP11B2 (0.55) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL17779065 0.78 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL25751700 0.78 CYP11B2 (0.49) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 — — US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 — — US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 — — US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 — — US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (4 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF CYP11B2 3132/4885CHRNA7 4665/4885CHRNB2 3711/4885
US-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI CYP11B2 1926/4885CHRNA7 4798/4885CHRNB2 4858/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 CYP11B2 4377/4885CHRNA7 1711/4885CHRNB2 1966/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CYP11B2 2108/4885CHRNA7 1622/4885CHRNB2 2180/4885

“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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