SCHEMBL27007682

SCHEMBL27007682

c1cc(N2CCNCC2)ccc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.52
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PLD1 Q13393 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPT P10636 2/20 0.49

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
SCHEMBL6984299 0.94 HTR3E (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4422799 0.88 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27007913 0.87 CHRNB2 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
Trifluoroacetic Acid SCHEMBL30745999 0.86 P2RY14 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27007733 0.85 ADRB1 (0.52) ADRB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27007665 0.85 MAPKAPK2 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13218526 0.81 RAB9A (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15245011 0.80 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13218517 0.80 DGAT1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D

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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA ADRB1 2411/4885HTR3E 3506/4885HTR3B 2561/4885

“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.