SCHEMBL4987791

SCHEMBL4987791

[CH2]C1(c2ccc(C)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.38
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
HSD11B1 P28845 2/20 0.37
HSD11B2 P80365 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL29259636 0.77 SLC6A3 (0.52) HSD11B1
SCHEMBL5467676 0.76 GRIN2D (0.47)
SCHEMBL18403094 0.76 ESR1 (0.60) KMT2ASMN1; SMN2POLBMAOBMAOA
Ammonia Solution, Strong SCHEMBL27575342 0.74 SLC6A3 (0.48) MAOBMAOAHSD11B1
SCHEMBL8116292 0.74 SLC6A3 (0.48) MAOBMAOAHSD11B1
SCHEMBL4987796 0.74 KMT2A (0.41) KMT2ASMN1; SMN2POLBMAOBMAOA
SCHEMBL9037762 0.74 SLC6A3 (0.48) MAOBMAOAHSD11B1
SCHEMBL7862595 0.74 SLC6A4 (0.51) MAOBMAOAALDH1A1
SCHEMBL7862579 0.74 ALDH1A1 (0.46) KMT2ASMN1; SMN2ESR1ESR2TDP1
P-Xylene SCHEMBL10491491 0.74 ACHE (0.67) ACHETDP1ALDH1A1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 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 (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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 KMT2A 3134/4885SMN1; SMN2 1922/4885POLB 1746/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885SMN1; SMN2 4369/4885POLB 3676/4885

“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.