SCHEMBL9535843

SCHEMBL9535843

Cc1ccc(Cn2c(CC3CCNCC3)nc3cccnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
TP53 P04637 7/20 0.49
ENPP2 Q13822 1/20 0.49
THRB P10828 2/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13186991 0.90 KCNH2 (0.61) KCNH2TP53ENPP2LMNAMAPT
SCHEMBL9539209 0.90 LMNA (0.55) KCNH2TP53ENPP2LMNA
SCHEMBL9535735 0.89 TP53 (0.51) KCNH2TP53ENPP2THRBLMNA
SCHEMBL9539234 0.89 LMNA (0.58) TP53ENPP2THRBLMNAMAPT
Hydrochloric Acid SCHEMBL9537452 0.88 TP53 (0.50) KCNH2TP53ENPP2THRBLMNA
SCHEMBL9536863 0.84 TP53 (0.54) TP53ENPP2THRBLMNAPOLB
SCHEMBL9537111 0.83 KCNH2 (0.63) KCNH2TP53LMNAMAPT
SCHEMBL9538101 0.82 TP53 (0.47) KCNH2TP53ENPP2LMNA
SCHEMBL9538462 0.82 TP53 (0.45) TP53ENPP2THRBLMNAPOLB
SCHEMBL9537090 0.80 TP53 (0.44) KCNH2TP53ENPP2THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 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 (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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 KCNH2 4544/4885TP53 4482/4885ENPP2 3830/4885

“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.