SCHEMBL4834503

SCHEMBL4834503

O=C(C=C1NC2(CCCC2)Cc2ccccc21)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.52
ALOX12 P18054 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
USP2 O75604 2/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.38

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
SCHEMBL4834492 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4844509 0.99 ALDH1A1 (0.55) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4844520 0.99 ALDH1A1 (0.55) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4844438 0.99 ALDH1A1 (0.55) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4844427 0.99 ALDH1A1 (0.55) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4838941 0.97 ALDH1A1 (0.54) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4838949 0.97 ALDH1A1 (0.54) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4842529 0.90 ALDH1A1 (0.47) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4842536 0.90 ALDH1A1 (0.47) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL4835635 0.89 ALDH1A1 (0.46) ALDH1A1TSHRLMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP claimed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US claimed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 ALDH1A1 2167/4885TSHR 2286/4885LMNA 3762/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 ALDH1A1 2636/4885TSHR 2777/4885LMNA 3014/4885

“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.