SCHEMBL6992893

SCHEMBL6992893

Cn1c(NC2CCNCC2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
NR4A2 P43354 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51
TAAR1 Q96RJ0 1/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
NPC1 O15118 1/20 0.46

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
Hydrochloric Acid SCHEMBL5009615 0.99 KCNH2 (0.58) KCNH2NR4A2IRAK4MKNK1TAAR1
SCHEMBL14584483 0.85 NR4A2 (0.56) KCNH2NR4A2IRAK4MKNK1MAPT
SCHEMBL7985049 0.81 KCNH2 (0.65) KCNH2NR4A2IRAK4MKNK1
Hydrochloric Acid SCHEMBL11478170 0.81 KCNH2 (0.51) KCNH2RAB9AMAPTALDH1A1HTT
SCHEMBL9534952 0.81 KCNH2 (0.61) KCNH2NR4A2MAPTALDH1A1CYP1A2
SCHEMBL6991613 0.79 KCNH2 (0.59) KCNH2NR4A2ALDH1A1TSHRKMT2A
SCHEMBL11265895 0.79 KCNH2 (0.83) KCNH2NR4A2MAPTALDH1A1HTT
SCHEMBL7981124 0.79 KCNH2 (0.61) KCNH2NR4A2IRAK4MKNK1MAPT
SCHEMBL7971741 0.79 KCNH2 (0.61) KCNH2NR4A2IRAK4MKNK1ALDH1A1
SCHEMBL7971742 0.79 KCNH2 (0.61) KCNH2NR4A2IRAK4MKNK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
EP-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
US-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 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 (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-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1071/4885NR4A2 1140/4885IRAK4 2378/4885

“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.