SCHEMBL6135618

SCHEMBL6135618

N#Cc1ccc(C2=CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
ALK Q9UM73 1/20 0.46
SLC18A3 Q16572 2/20 0.46
ESRRG P62508 2/20 0.39
ESRRB O95718 1/20 0.39
ESR1 P03372 1/20 0.39
HSD11B1 P28845 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
KCNH2 Q12809 2/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL20842182 0.73 SLC18A3 (0.47) ALKSLC18A3ESRRGESRRBESR1
SCHEMBL5453321 0.70 HRH3 (0.48) HRH3KDM2BKCNH2
SCHEMBL20156527 0.70 QDPR (0.50) HRH3KCNH2
SCHEMBL13470480 0.70 CYP11B2 (0.42) HRH3KCNH2
SCHEMBL6132351 0.70 SLC18A3 (0.63) HRH3SLC18A3ESRRGESRRBESR1
SCHEMBL19374270 0.70 TGFBR1 (0.40) SLC18A3
SCHEMBL20131029 0.69 PIK3CD (0.42) SLC18A3HSD11B1KDM2B
SCHEMBL21026812 0.69 SLC18A3 (0.46) ALKSLC18A3ESRRGESRRBESR1
SCHEMBL5805903 0.68 NAMPT (0.47) HRH3KCNH2
SCHEMBL17670005 0.67 KIF11 (0.40) HRH3HSD11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 HRH3 1440/4885ALK 4339/4885SLC18A3 4446/4885

“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.