SCHEMBL13342102

SCHEMBL13342102

CC1CCCCC1CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL24588934 0.95 SLC6A4 (0.33) ALDH1A1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL24589001 0.95 SLC6A4 (0.33) ALDH1A1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL16349714 0.95 SLC6A4 (0.33) ALDH1A1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL24588251 0.95 SLC6A4 (0.33) ALDH1A1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL8755107 0.87 ALDH1A1 (0.40) ALDH1A1CA1CA2CA4MEN1
SCHEMBL9005145 0.87 ALDH1A1 (0.40) ALDH1A1CA1CA2CA4MEN1
SCHEMBL9004832 0.87 ALDH1A1 (0.40) ALDH1A1CA1CA2CA4MEN1
SCHEMBL14156116 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASLC6A4
SCHEMBL14565351 0.79 SLC6A4 (0.35) CA1CA2CA4SLC6A4
SCHEMBL24974523 0.76 SIGMAR1 (0.41) CA1CA2CA4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022119430-A1 STABLE COATED SOLID PHARMACEUTICAL COMPOSITION OF AN OPIOID ANALGESIC AND AN ANTI-EPILEPTIC FOR PAIN LABORATORIOS SILANES S.A. DE C.V. (MX) 2022-06-09 WO disclosed
EP-2617704-B1 Phenyl substituted cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
US-20130046012-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2013-02-21 US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH ALDH1A1 47/4885CA1 3041/4885CA2 2700/4885
US-20130046012-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN OPRL1, OPRK1, TRPV1 ALDH1A1 575/4885CA1 1101/4885CA2 540/4885

“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.