SCHEMBL3884759

SCHEMBL3884759

O=C1[C@H]2Cc3ccccc3C[C@H]2C(=O)N1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.67
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ADORA2A P29274 1/20 0.57
▸ MT-CO2 P00403 2/20 0.55
▸ ALOX5 P09917 2/20 0.55
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ F2 P00734 1/20 0.52
▸ PLG P00747 1/20 0.52
▸ ELANE P08246 1/20 0.52
▸ CTSG P08311 1/20 0.52
▸ CMA1 P23946 1/20 0.52
▸ CTRC Q99895 1/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL3236740 0.87 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL13783795 0.83 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL12372537 0.83 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL1023519 0.83 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL17356841 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ADORA2AMT-CO2
SCHEMBL3242391 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL3242390 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL8147581 0.80 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL7829113 0.80 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL6747736 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — US disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 — — US disclosed
US-6960666-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 — — US disclosed
US-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 — — US disclosed
US-6784200-B2 SUCH AS N-3-(CIS-2,3,3A,4,9,9A-HEXAHYDRO-1H-BENZ(F)ISOINDOL-2-YL)-N-PROP-1-YL-N'-3 -ACETYLPHENYLUREA FOR PREVENTION OF INFLAMMATORY DISEASES (ASTHMA AND ALLERGIES) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-31 — — US disclosed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 — — US disclosed
US-6586446-B1 Chemotaxic cytokine agonists or antagonists such as N(3-acetylphlenyl)-N'-(-2-((-3-((4-fluorophenyl)methyl)-8 -azabicyclo(3.2.1)oct-8-yl)methyl)-(2R)-1-cyclohexyl)urea, used as antiinflammatory agents for asthma or allergies BRISTOL-MYERS SQUIBB COMPANY 2003-07-01 — — 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 (3 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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 ALDH1A1 964/4885KMT2A 4001/4885MEN1 4366/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 ALDH1A1 964/4885KMT2A 4001/4885MEN1 4366/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 ALDH1A1 1875/4885KMT2A 2520/4885MEN1 4734/4885

“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.

Send feedback