SCHEMBL20130611

SCHEMBL20130611

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc(C)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1B P35368 3/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ABCB1 P08183 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL8286958 0.92 ADRA1A (0.53) ADRA1AADORA3ADRA2AADRA2BADRA2C
SCHEMBL10365161 0.91 CACNA1B (0.61) ADRA1AADORA3ADRA2AADRA2BADRA2C
SCHEMBL10365237 0.89 CACNA1C (0.62) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL247471 0.88 MAPT (0.70) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL49368 0.88 MAPT (0.70) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL29801590 0.88 MAPT (0.70) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL137617 0.88 ADRA1A (0.71) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL137616 0.88 ADRA1A (0.71) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL1491200 0.88 ADRA1A (0.71) ADRA1AADORA3ADRA2AADRA2BADRA2C
Manidipine 6300 SCHEMBL6275097 0.88 ADRA1A (0.71) ADRA1AADORA3ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123335-B2 Method for preventing lung diseases in smokers and non-smokers using antihypertensive drug SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-09-21 US disclosed
US-20180125833-A1 METHOD FOR PREVENTING LUNG DISEASES IN SMOKERS AND NON-SMOKERS USING ANTIHYPERTENSIVE DRUG SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2018-05-10 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-20180125833-A1 METHOD FOR PREVENTING LUNG DISEASES IN SMOKERS AND NON-SMOKERS USING ANTIHYPERTENSIVE DRUG TGFB1, TGFB2, AGTR1 ADRA1A 42/4885ADORA3 1357/4885ADRA2A 101/4885
US-11123335-B2 Method for preventing lung diseases in smokers and non-smokers using antihypertensive drug TGFB1, TGFB2, AGTR1 ADRA1A 42/4885ADORA3 1357/4885ADRA2A 101/4885

“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.